NP-MRD: Showing NP-Card for 11-Hydroxylycodine (NP0025514)

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Record Information

Version

1.0

Created at

2021-06-19 17:37:12 UTC

Updated at

2021-06-29 23:50:31 UTC

NP-MRD ID

NP0025514

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-Hydroxylycodine

Provided By

JEOL Database JEOL Logo

Description

(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]Heptadeca-2(7),3,5-trien-11-ol belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring. 11-Hydroxylycodine is found in Lycopodium Complanatum. It was first documented in 2001 (Kobayahi, J., et al.). Based on a literature review very few articles have been published on (1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]Heptadeca-2(7),3,5-trien-11-ol.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192119373D          

 41 44  0  0  0  0            999 V2000
    1.2676    2.8486    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    2.8197    0.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7533    3.3810    0.9664 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5157    3.1759   -0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9502    4.0354   -1.5034 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2406    3.4484   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    4.2805   -3.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    3.8120   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.5424   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065    1.6975   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    2.1319   -1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.2419   -0.9662 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7274    1.3909    0.3855 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0065   -0.1949   -1.3330 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8360   -0.5304   -2.4830 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2903   -0.1455   -2.2611 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4053    1.3378   -1.9314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7593    1.6407   -1.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.6822   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6938    2.2170    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    3.8685    2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    2.4895    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    3.4737    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.8931    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    4.4485    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    3.5038   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    4.1854   -2.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    5.0317   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    4.5118   -4.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    2.2173   -4.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    0.6957   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    1.0906    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7014    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.7445   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -1.6107   -2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.0563   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -0.3772   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -0.7453   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    1.9275   -2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4568   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.1341    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  1  6  0  0  0
 19 17  1  0  0  0  0
 19 12  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  2  0  0  0  0
 11 10  2  0  0  0  0
 10  9  1  0  0  0  0
  9  8  2  0  0  0  0
  8  7  1  0  0  0  0
 15 14  1  0  0  0  0
  4  3  1  0  0  0  0
 19  4  1  0  0  0  0
 17 18  1  0  0  0  0
 12 11  1  0  0  0  0
 19 41  1  1  0  0  0
  6  5  1  0  0  0  0
 12 13  1  0  0  0  0
  5  4  1  0  0  0  0
 13  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6 11  1  0  0  0  0
  2  1  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 14 34  1  0  0  0  0
 17 39  1  6  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  4 26  1  1  0  0  0
 10 31  1  0  0  0  0
  9 30  1  0  0  0  0
  8 29  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
 18 40  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
  2 23  1  6  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.2676    2.8486    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    2.8197    0.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7533    3.3810    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    3.1759   -0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9502    4.0354   -1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    3.4484   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    4.2805   -3.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    3.8120   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.5424   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065    1.6975   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    2.1319   -1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.2419   -0.9662 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7274    1.3909    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065   -0.1949   -1.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -0.5304   -2.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903   -0.1455   -2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.3378   -1.9314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7593    1.6407   -1.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.6822   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6938    2.2170    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    3.8685    2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    2.4895    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    3.4737    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.8931    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    4.4485    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    3.5038   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    4.1854   -2.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    5.0317   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    4.5118   -4.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    2.2173   -4.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    0.6957   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    1.0906    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7014    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.7445   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -1.6107   -2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.0563   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -0.3772   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -0.7453   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    1.9275   -2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4568   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.1341    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  1  6
 19 17  1  0
 19 12  1  0
 16 15  1  0
 16 17  1  0
  6  7  2  0
 11 10  2  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
 15 14  1  0
  4  3  1  0
 19  4  1  0
 17 18  1  0
 12 11  1  0
 19 41  1  1
  6  5  1  0
 12 13  1  0
  5  4  1  0
 13  2  1  0
  2  3  1  0
  6 11  1  0
  2  1  1  0
 16 37  1  0
 16 38  1  0
 15 35  1  0
 15 36  1  0
 14 34  1  0
 17 39  1  6
  5 27  1  0
  5 28  1  0
  4 26  1  1
 10 31  1  0
  9 30  1  0
  8 29  1  0
  3 24  1  0
  3 25  1  0
 18 40  1  0
 13 32  1  0
 13 33  1  0
  2 23  1  6
  1 20  1  0
  1 21  1  0
  1 22  1  0
M  END


  Mrv1652306192119373D          

 41 44  0  0  0  0            999 V2000
    1.2676    2.8486    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    2.8197    0.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7533    3.3810    0.9664 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5157    3.1759   -0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9502    4.0354   -1.5034 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2406    3.4484   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    4.2805   -3.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    3.8120   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.5424   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065    1.6975   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    2.1319   -1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.2419   -0.9662 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7274    1.3909    0.3855 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0065   -0.1949   -1.3330 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8360   -0.5304   -2.4830 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2903   -0.1455   -2.2611 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4053    1.3378   -1.9314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7593    1.6407   -1.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.6822   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6938    2.2170    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    3.8685    2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    2.4895    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    3.4737    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.8931    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    4.4485    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    3.5038   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    4.1854   -2.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    5.0317   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    4.5118   -4.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    2.2173   -4.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    0.6957   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    1.0906    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7014    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.7445   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -1.6107   -2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.0563   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -0.3772   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -0.7453   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    1.9275   -2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4568   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.1341    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  1  6  0  0  0
 19 17  1  0  0  0  0
 19 12  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  2  0  0  0  0
 11 10  2  0  0  0  0
 10  9  1  0  0  0  0
  9  8  2  0  0  0  0
  8  7  1  0  0  0  0
 15 14  1  0  0  0  0
  4  3  1  0  0  0  0
 19  4  1  0  0  0  0
 17 18  1  0  0  0  0
 12 11  1  0  0  0  0
 19 41  1  1  0  0  0
  6  5  1  0  0  0  0
 12 13  1  0  0  0  0
  5  4  1  0  0  0  0
 13  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6 11  1  0  0  0  0
  2  1  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 14 34  1  0  0  0  0
 17 39  1  6  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  4 26  1  1  0  0  0
 10 31  1  0  0  0  0
  9 30  1  0  0  0  0
  8 29  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
 18 40  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
  2 23  1  6  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0025514

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])([H])C([H])([H])N([H])[C@]23C4=C([H])C([H])=C([H])N=C4C([H])([H])[C@]([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])C2([H])[H])[C@@]13[H]

> <INCHI_IDENTIFIER>
InChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11+,14-,15+,16+/m1/s1

> <INCHI_KEY>
UPDSILBIMXVIPG-GXZBSRFJSA-N

> <FORMULA>
C16H22N2O

> <MOLECULAR_WEIGHT>
258.365

> <EXACT_MASS>
258.173213336

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.043041095053717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-trien-11-ol

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
1.008095242333333

> <ALOGPS_LOGS>
-2.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.831280315720644

> <JCHEM_PKA_STRONGEST_BASIC>
8.876268388895898

> <JCHEM_POLAR_SURFACE_AREA>
45.150000000000006

> <JCHEM_REFRACTIVITY>
74.23240000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-trien-11-ol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.2676    2.8486    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    2.8197    0.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7533    3.3810    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    3.1759   -0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9502    4.0354   -1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    3.4484   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    4.2805   -3.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    3.8120   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.5424   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065    1.6975   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    2.1319   -1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.2419   -0.9662 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7274    1.3909    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065   -0.1949   -1.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -0.5304   -2.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903   -0.1455   -2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.3378   -1.9314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7593    1.6407   -1.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.6822   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6938    2.2170    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    3.8685    2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    2.4895    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    3.4737    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.8931    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    4.4485    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    3.5038   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    4.1854   -2.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    5.0317   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    4.5118   -4.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    2.2173   -4.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    0.6957   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    1.0906    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7014    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.7445   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -1.6107   -2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.0563   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -0.3772   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -0.7453   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    1.9275   -2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4568   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.1341    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  1  6
 19 17  1  0
 19 12  1  0
 16 15  1  0
 16 17  1  0
  6  7  2  0
 11 10  2  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
 15 14  1  0
  4  3  1  0
 19  4  1  0
 17 18  1  0
 12 11  1  0
 19 41  1  1
  6  5  1  0
 12 13  1  0
  5  4  1  0
 13  2  1  0
  2  3  1  0
  6 11  1  0
  2  1  1  0
 16 37  1  0
 16 38  1  0
 15 35  1  0
 15 36  1  0
 14 34  1  0
 17 39  1  6
  5 27  1  0
  5 28  1  0
  4 26  1  1
 10 31  1  0
  9 30  1  0
  8 29  1  0
  3 24  1  0
  3 25  1  0
 18 40  1  0
 13 32  1  0
 13 33  1  0
  2 23  1  6
  1 20  1  0
  1 21  1  0
  1 22  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0       1.268   2.849   2.375  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.677   2.820   0.965  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.753   3.381   0.966  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.516   3.176  -0.360  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.950   4.035  -1.503  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.241   3.448  -2.221  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.850   4.281  -3.104  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.930   3.812  -3.764  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.444   2.542  -3.589  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.807   1.698  -2.689  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.667   2.132  -1.994  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.035   1.242  -0.966  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.727   1.391   0.386  0.00  0.00           C+0
HETATM   14  N   UNK     0       0.007  -0.195  -1.333  0.00  0.00           N+0
HETATM   15  C   UNK     0      -0.836  -0.530  -2.483  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.290  -0.146  -2.261  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.405   1.338  -1.931  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.759   1.641  -1.599  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.502   1.682  -0.734  0.00  0.00           C+0
HETATM   20  H   UNK     0       0.694   2.217   3.062  0.00  0.00           H+0
HETATM   21  H   UNK     0       1.269   3.869   2.774  0.00  0.00           H+0
HETATM   22  H   UNK     0       2.302   2.490   2.369  0.00  0.00           H+0
HETATM   23  H   UNK     0       1.306   3.474   0.349  0.00  0.00           H+0
HETATM   24  H   UNK     0      -1.327   2.893   1.766  0.00  0.00           H+0
HETATM   25  H   UNK     0      -0.729   4.449   1.219  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.548   3.504  -0.178  0.00  0.00           H+0
HETATM   27  H   UNK     0      -1.737   4.185  -2.254  0.00  0.00           H+0
HETATM   28  H   UNK     0      -0.687   5.032  -1.127  0.00  0.00           H+0
HETATM   29  H   UNK     0       2.388   4.512  -4.456  0.00  0.00           H+0
HETATM   30  H   UNK     0       3.321   2.217  -4.137  0.00  0.00           H+0
HETATM   31  H   UNK     0       2.198   0.696  -2.526  0.00  0.00           H+0
HETATM   32  H   UNK     0       1.778   1.091   0.271  0.00  0.00           H+0
HETATM   33  H   UNK     0       0.293   0.701   1.124  0.00  0.00           H+0
HETATM   34  H   UNK     0      -0.307  -0.745  -0.532  0.00  0.00           H+0
HETATM   35  H   UNK     0      -0.772  -1.611  -2.655  0.00  0.00           H+0
HETATM   36  H   UNK     0      -0.453  -0.056  -3.394  0.00  0.00           H+0
HETATM   37  H   UNK     0      -2.884  -0.377  -3.154  0.00  0.00           H+0
HETATM   38  H   UNK     0      -2.726  -0.745  -1.451  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.146   1.928  -2.817  0.00  0.00           H+0
HETATM   40  H   UNK     0      -4.303   1.457  -2.385  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.909   1.134   0.131  0.00  0.00           H+0
CONECT    1    2   20   21   22                                             
CONECT    2   13    3    1   23                                             
CONECT    3    4    2   24   25                                             
CONECT    4    3   19    5   26                                             
CONECT    5    6    4   27   28                                             
CONECT    6    7    5   11                                                  
CONECT    7    6    8                                                       
CONECT    8    9    7   29                                                  
CONECT    9   10    8   30                                                  
CONECT   10   11    9   31                                                  
CONECT   11   10   12    6                                                  
CONECT   12   14   19   11   13                                             
CONECT   13   12    2   32   33                                             
CONECT   14   12   15   34                                                  
CONECT   15   16   14   35   36                                             
CONECT   16   15   17   37   38                                             
CONECT   17   19   16   18   39                                             
CONECT   18   17   40                                                       
CONECT   19   17   12    4   41                                             
CONECT   20    1                                                            
CONECT   21    1                                                            
CONECT   22    1                                                            
CONECT   23    2                                                            
CONECT   24    3                                                            
CONECT   25    3                                                            
CONECT   26    4                                                            
CONECT   27    5                                                            
CONECT   28    5                                                            
CONECT   29    8                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
CONECT   32   13                                                            
CONECT   33   13                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   15                                                            
CONECT   37   16                                                            
CONECT   38   16                                                            
CONECT   39   17                                                            
CONECT   40   18                                                            
CONECT   41   19                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

RDKit          3D

41 44  0  0  0  0  0  0  0  0999 V2000
    1.2676    2.8486    2.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    2.8197    0.9648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7533    3.3810    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    3.1759   -0.3602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9502    4.0354   -1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    3.4484   -2.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    4.2805   -3.1045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    3.8120   -3.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.5424   -3.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8065    1.6975   -2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    2.1319   -1.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    1.2419   -0.9662 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7274    1.3909    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0065   -0.1949   -1.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8360   -0.5304   -2.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903   -0.1455   -2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053    1.3378   -1.9314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7593    1.6407   -1.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.6822   -0.7342 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6938    2.2170    3.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    3.8685    2.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021    2.4895    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061    3.4737    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.8931    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292    4.4485    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    3.5038   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367    4.1854   -2.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    5.0317   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    4.5118   -4.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    2.2173   -4.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    0.6957   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    1.0906    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.7014    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.7445   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -1.6107   -2.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -0.0563   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840   -0.3772   -3.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7256   -0.7453   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1461    1.9275   -2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4568   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.1341    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 14  1  6
 19 17  1  0
 19 12  1  0
 16 15  1  0
 16 17  1  0
  6  7  2  0
 11 10  2  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
 15 14  1  0
  4  3  1  0
 19  4  1  0
 17 18  1  0
 12 11  1  0
 19 41  1  1
  6  5  1  0
 12 13  1  0
  5  4  1  0
 13  2  1  0
  2  3  1  0
  6 11  1  0
  2  1  1  0
 16 37  1  0
 16 38  1  0
 15 35  1  0
 15 36  1  0
 14 34  1  0
 17 39  1  6
  5 27  1  0
  5 28  1  0
  4 26  1  1
 10 31  1  0
  9 30  1  0
  8 29  1  0
  3 24  1  0
  3 25  1  0
 18 40  1  0
 13 32  1  0
 13 33  1  0
  2 23  1  6
  1 20  1  0
  1 21  1  0
  1 22  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Not Available

Chemical Formula

C₁₆H₂₂N₂O

Average Mass

258.3650 Da

Monoisotopic Mass

258.17321 Da

IUPAC Name

(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-trien-11-ol

Traditional Name

(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-trien-11-ol

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])C([H])([H])C([H])([H])N([H])[C@]23C4=C([H])C([H])=C([H])N=C4C([H])([H])[C@]([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])C2([H])[H])[C@@]13[H]

InChI Identifier

InChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11+,14-,15+,16+/m1/s1

InChI Key

UPDSILBIMXVIPG-GXZBSRFJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃ at 300K, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Diphasiastrum complanatum	JEOL database	Kobayahi, J., et al, J. Org. Chem. 66, 5901 (2001)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Phenanthrolines

Sub Class

Not Available

Direct Parent

Phenanthrolines

Alternative Parents

Substituents

1,7-phenanthroline
Quinolidine
Aralkylamine
Piperidine
Pyridine
Heteroaromatic compound
Secondary alcohol
Secondary aliphatic amine
Azacycle
Secondary amine
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Alcohol
Hydrocarbon derivative
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.73	ALOGPS
logP	1.01	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	14.83	ChemAxon
pKa (Strongest Basic)	8.88	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	45.15 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	74.23 m³·mol⁻¹	ChemAxon
Polarizability	29.04 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11021557

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kobayahi, J., et al. (2001). Kobayahi, J., et al, J. Org. Chem. 66, 5901 (2001). J. Org. Chem..

Showing NP-Card for 11-Hydroxylycodine (NP0025514)

MOL for NP0025514 (11-Hydroxylycodine)

3D MOL for NP0025514 (11-Hydroxylycodine)

3D SDF for NP0025514 (11-Hydroxylycodine)

3D-SDF for NP0025514 (11-Hydroxylycodine)

PDB for NP0025514 (11-Hydroxylycodine)

3D PDB for NP0025514 (11-Hydroxylycodine)

SMILES for NP0025514 (11-Hydroxylycodine)

INCHI for NP0025514 (11-Hydroxylycodine)

Structure for NP0025514 (11-Hydroxylycodine)

3D Structure for NP0025514 (11-Hydroxylycodine)