NP-MRD: Showing NP-Card for (+)-3-Acetyl aleuritolic acid (NP0073976)

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Record Information

Version

1.0

Created at

2022-04-28 19:11:21 UTC

Updated at

2022-04-28 19:11:22 UTC

NP-MRD ID

NP0073976

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-3-Acetyl aleuritolic acid

Description

Acetyl aleuritolic acid belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions. (+)-3-Acetyl aleuritolic acid is found in Alchornea cordifolia , Blainvillea acmella, Cleidion spiciflorum (Burm. f.) Merr. , Cnidoscolus vitifolius, Croton cajucara, Croton cascarilloides, Croton insularis, Croton megalocarpus, Croton urucurana, Croton urucurana Baill., Elateriospermum tapos, Jatropha weddelliana, Macaranga tanarius, Mallotus apelta, Neoboutonia glabrescens Prain, Neoboutonia mannii, Phytolacca acinosa, Phytolacca americana , Sapium ellipticum, Sapium stylare, Spirostachys africana and Trianthema portulacastrum . It was first documented in 2016 (PMID: 26724423). Acetyl aleuritolic acid is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 32847772) (PMID: 30316148) (PMID: 30008135) (PMID: 29438356).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309272006272D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309272006272D          

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10000.6912 9998.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6912 9999.4201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.826110002.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.111610001.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.111610001.0844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.826110000.6720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.540610001.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.540610001.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.688610001.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.974110000.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4031 9999.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.403110000.6651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.1136 9999.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8281 9999.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2614 9997.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0322 9997.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0744 9997.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2715 9998.5917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.8345 9998.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.5490 9998.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 22 10  1  0  0  0  0
 22  9  1  0  0  0  0
 33 25  1  0  0  0  0
 25 12  1  1  0  0  0
 24 11  1  1  0  0  0
 30 32  2  0  0  0  0
 31  1  1  6  0  0  0
 24 31  1  0  0  0  0
 29 18  1  0  0  0  0
 21 30  1  0  0  0  0
 18  8  1  6  0  0  0
 21  2  1  1  0  0  0
 18 17  1  0  0  0  0
 17  3  1  1  0  0  0
 38 39  1  0  0  0  0
 39 36  1  0  0  0  0
 39 35  1  0  0  0  0
 39 37  1  0  0  0  0
 37 34  1  6  0  0  0
 16 38  1  0  0  0  0
 37 17  1  0  0  0  0
 38  4  1  1  0  0  0
 37 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0073976

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1

> <INCHI_KEY>
UROPGAQBZGIPQC-VUHMTIHWSA-N

> <FORMULA>
C32H50O4

> <MOLECULAR_WEIGHT>
498.748

> <EXACT_MASS>
498.37091009

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
59.43734679311092

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-4a-carboxylic acid

> <ALOGPS_LOGP>
7.31

> <JCHEM_LOGP>
7.035958843666668

> <ALOGPS_LOGS>
-6.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.7439958380081135

> <JCHEM_PKA_STRONGEST_BASIC>
-7.003778164416526

> <JCHEM_POLAR_SURFACE_AREA>
63.6

> <JCHEM_REFRACTIVITY>
142.77599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.73e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene-4a-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8669.2818669.454   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8667.9538667.129   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8665.2958667.129   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8661.3008663.265   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8659.9678664.037   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8658.6348663.265   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8659.9678665.576   0.000  0.00  0.00           O+0
HETATM    8  H   UNK     0    8666.6258664.824   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0    8672.9358672.195   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8670.9528672.195   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0    8670.6138667.148   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0    8673.2748667.144   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8674.6068667.914   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8673.2748665.603   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    8663.9638666.352   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8662.6298665.582   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.2978665.582   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8666.6238666.354   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.6238663.274   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8667.9578664.044   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8667.9578665.584   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8671.9428671.001   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8670.6088670.231   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8670.6088668.691   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8671.9428667.921   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8673.2768668.691   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8673.2768670.231   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8667.9528668.678   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8666.6188667.908   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8669.2868666.368   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8669.2868667.908   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8670.6128665.598   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8671.9468666.368   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0    8665.2888662.710   0.000  0.00  0.00           H+0
HETATM   35  C   UNK     0    8662.9938662.069   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8664.9398662.088   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8665.3078664.038   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8662.6248664.044   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8663.9588663.274   0.000  0.00  0.00           C+0
CONECT    1   31                                                            
CONECT    2   21                                                            
CONECT    3   17                                                            
CONECT    4    5   38                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8   18                                                            
CONECT    9   22                                                            
CONECT   10   22                                                            
CONECT   11   24                                                            
CONECT   12   13   14   25                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   16   17                                                       
CONECT   16   15   38                                                       
CONECT   17   15   18    3   37                                             
CONECT   18   21   29    8   17                                             
CONECT   19   20   37                                                       
CONECT   20   19   21                                                       
CONECT   21   18   20   30    2                                             
CONECT   22   23   27   10    9                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   11   31                                             
CONECT   25   24   26   33   12                                             
CONECT   26   25   27                                                       
CONECT   27   22   26                                                       
CONECT   28   29   31                                                       
CONECT   29   28   18                                                       
CONECT   30   31   32   21                                                  
CONECT   31   28   30    1   24                                             
CONECT   32   33   30                                                       
CONECT   33   32   25                                                       
CONECT   34   37                                                            
CONECT   35   39                                                            
CONECT   36   39                                                            
CONECT   37   39   34   17   19                                             
CONECT   38   39   16    4                                                  
CONECT   39   38   36   35   37                                             
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Value	Source
3beta-Acetoxyfriedoolean-14-ene-28-Oic acid	ChEBI
3b-Acetoxyfriedoolean-14-ene-28-Oate	Generator
3b-Acetoxyfriedoolean-14-ene-28-Oic acid	Generator
3beta-Acetoxyfriedoolean-14-ene-28-Oate	Generator
3Β-acetoxyfriedoolean-14-ene-28-Oate	Generator
3Β-acetoxyfriedoolean-14-ene-28-Oic acid	Generator
Acetyl aleuritolate	Generator
Acetylaleuritolic acid	MeSH
(3beta,13alpha)-3-(Acetyloxy)-13-methyl-27-norolean-14-en-28-oic acid	PhytoBank
(3β,13α)-3-(Acetyloxy)-13-methyl-27-norolean-14-en-28-oic acid	PhytoBank
(+)-Aleuritolic acid acetate	PhytoBank
3-Acetylaleuritolic acid	PhytoBank
3-O-Acetylaleuritolic acid	PhytoBank
3-O-Acetylmaprounic acid	PhytoBank
Aleuritolic acid acetate	PhytoBank

Chemical Formula

C₃₂H₅₀O₄

Average Mass

498.7480 Da

Monoisotopic Mass

498.37091 Da

IUPAC Name

(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-4a-carboxylic acid

Traditional Name

(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene-4a-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)C(O)=O

InChI Identifier

InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1

InChI Key

UROPGAQBZGIPQC-VUHMTIHWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Alchornea cordifolia	Plant	KNApSAcK
Blainvillea acmella	LOTUS Database	35616633
Cleidion spiciflorum (Burm. f.) Merr.	Plant	KNApSAcK
Cnidoscolus vitifolius	Plant	KNApSAcK
Croton cajucara	LOTUS Database	35616633
Croton cascarilloides	LOTUS Database	35616633
Croton insularis	LOTUS Database	35616633
Croton megalocarpus	LOTUS Database	35616633
Croton urucurana	LOTUS Database	35616633
Croton urucurana Baill.	Plant	KNApSAcK
Elateriospermum tapos	LOTUS Database	35616633
Jatropha weddelliana	Plant	KNApSAcK
Macaranga tanarius	LOTUS Database	35616633
Mallotus apelta	LOTUS Database	35616633
Neoboutonia glabrescens Prain	Plant	KNApSAcK
Neoboutonia mannii	LOTUS Database	35616633
Phytolacca acinosa	LOTUS Database	35616633
Phytolacca americana	Plant	KNApSAcK
Sapium ellipticum	LOTUS Database	35616633
Sapium stylare	LOTUS Database	35616633
Spirostachys africana	LOTUS Database	35616633
Trianthema portulacastrum	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Scalarane sesterterpenoids

Alternative Parents

Substituents

Scalarane sesterterpenoid
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:70418 )
acetate ester (CHEBI:70418 )
pentacyclic triterpenoid (CHEBI:70418 )

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	7.31	ALOGPS
logP	7.04	ChemAxon
logS	-6.5	ALOGPS
pKa (Strongest Acidic)	4.74	ChemAxon
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	142.78 m³·mol⁻¹	ChemAxon
Polarizability	59.44 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

141950

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

161616

PDB ID

Not Available

ChEBI ID

70418

Good Scents ID

Not Available

References

General References

Munissi JJE, Isyaka SM, Mas-Claret E, Brabner M, Langat MK, Nyandoro SS, Mulholland DA: Ent-clerodane and ent-trachylobane diterpenoids from Croton dictyophlebodes. Phytochemistry. 2020 Nov;179:112487. doi: 10.1016/j.phytochem.2020.112487. Epub 2020 Aug 22. [PubMed:32847772 ]
Noundou XS, Krause RW, van Vuuren SF, Ndinteh DT, Olivier DK: Antibacterial effects of Alchornea cordifolia (Schumach. and Thonn.) Mull. Arg extracts and compounds on gastrointestinal, skin, respiratory and urinary tract pathogens. J Ethnopharmacol. 2016 Feb 17;179:76-82. doi: 10.1016/j.jep.2015.12.043. Epub 2015 Dec 24. [PubMed:26724423 ]
Aziz AN, Ismail NH, Halim SNA, Looi CY, Anouar EH, Langat MK, Mulholland D, Awang K: Laevifins A-G, clerodane diterpenoids from the Bark of Croton oblongus Burm.f. Phytochemistry. 2018 Dec;156:193-200. doi: 10.1016/j.phytochem.2018.10.002. Epub 2018 Oct 10. [PubMed:30316148 ]
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Showing NP-Card for (+)-3-Acetyl aleuritolic acid (NP0073976)

MOL for NP0073976 ((+)-3-Acetyl aleuritolic acid)

3D MOL for NP0073976 ((+)-3-Acetyl aleuritolic acid)

3D SDF for NP0073976 ((+)-3-Acetyl aleuritolic acid)

3D-SDF for NP0073976 ((+)-3-Acetyl aleuritolic acid)

PDB for NP0073976 ((+)-3-Acetyl aleuritolic acid)

3D PDB for NP0073976 ((+)-3-Acetyl aleuritolic acid)

SMILES for NP0073976 ((+)-3-Acetyl aleuritolic acid)

INCHI for NP0073976 ((+)-3-Acetyl aleuritolic acid)

Structure for NP0073976 ((+)-3-Acetyl aleuritolic acid)

3D Structure for NP0073976 ((+)-3-Acetyl aleuritolic acid)