NP-MRD: Showing NP-Card for Pinoresinol (NP0003038)

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Record Information

Version

1.0

Created at

2020-11-23 19:47:26 UTC

Updated at

2022-11-28 18:02:56 UTC

NP-MRD ID

NP0003038

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pinoresinol

Provided By

BMRB

Description

Pinoresinol is found in Abies koreana, Abies nephrolepis, Abies sachalinensis, Abies spectabilis, Actinidia arguta , Ageratina ligustrina, Allamanda neriifolia, Anastatica hierochuntica, Pulsatilla chinensis , Angelica furcijuga, Anisacanthus virgularis, Aptosimum spinescens, Aralia bipinnata, Araucaria angustifolia, Arnica mollis, Artemisia arborescens, Arum italicum , Asarum sieboldii, Asparagus officinalis, Balanophora abbreviata B1, Balanophora fungosa, Balanophora harlandii, Balanophora japonica, Balanophora latisepala, Berberis koreana, Bhesa paniculata , Boschniakia rossica, Brassica fruticulosa, Breynia vitis-idaea, Brucea javanica, Brunfelsia hopeana, Bulbophyllum triste, Bupleurum salicifolium, Camellia sinensis, Carduus assoi, Carduus tenuiflorus , Centaurea calcitrapa, Centaurea montana, Chionanthus retusus, Cistanche salsa, Cistanche tubulosa , Clematis stans, Colocasia antiquorum, Coptis japonica var. dissecta , Cuscuta chinensis , Daphne acutiloba, Daphne feddei, Daphne genkwa , Daphne giraldii, Daphne mezereum , Daphne odora , Daphne oleoides spp. , Daphne pseudomezereum, Daphne tangutica, Dendrobium loddigesii, Dendrobium plicatile, Tricalysia dubia, Doliocarpus dentatus , Eleutherococcus senticosus , Enterococcus faecalis , Ephemerantha fimbriata, Eremophila maculata var. brevifolia , Eucalyptus globulus , Eucommia ulmoides , Euphorbia pekinensis , Euterpe oleracea, Fagraea racemosa, Festuca argentina, Forsythia europaea, Forsythia giraldiana, Forsythia intermedia, Forsythia japonica, Forsythia koreana, Forsythia suspensa , Fraxinus chinensis, Fraxinus japonica , Fraxinus mandshurica var. japonica , Gnetum montanum, Goniothalamus amuyon, Gymnadenia conopsea, Haplophyllum versicolor, Hedyotis lawsoniae, Helianthus annuus, Helicteres angustifolia , Helicteres hirsuta, Hernandia ovigera, Hibiscus cannabinus , Himatanthus fallax, Hugonia tomentosa, Ipomoea nil, Isatis tinctoria, Jasminum simplicifolium, Justicia diffusa var. prostrata, Larix dahurica, Larix decidua , Larix leptolepis, Larix sibirica, Leitneria floridana, Leonurus sibiricus , Ligustrum obtusifolium , Ligustrum ovalifolium, Linum album, Linum scabrellum, Linum usitatissimum , Liriodendron tulipfera, Liriodendron tulipifera , Lonicera insularis, Magnolia biondii, Magnolia coco, Magnolia denudata , Magnolia fargesii , Magnolia kobus var. borealis , Magnolia salicifolia , Melia azedarach, Melilotus messanensis, Mikania saltensis, Mitragyna speciosa, Morina chinensis , Morinda citrifolia, Nardostachys jatamansi , Oenanthe javanica , Onopordum acanthium , Onopordum caricum, Osmanthus asiaticus, Pandanus boninensis, Pandanus odoratissimus , Pandanus tectorius, Peperomia blanda, Peperomia sui, Phlomoides hamosa, Phyllanthus oxyphyllus, Picea abies , Picea glauca, Picea glehnii, Picea jezoensis, Picea obovata, Pinalia floribunda, Pinus armandii, Pinus massoniana, Pluchea indica , Pluchea quitoc, Pluchea sagittalis, Poacynum hendersonii, Polygonatum sibiricum , Poraqueiba paraensis, Punica granatum , Catunaregam spinosa, Rhaphidophora decursiva , Rhododendron przewalskii, Rubia yunnanensis, Rubus amabilis, Sambucus adnata, Sambucus nigra , Sambucus williamsii, Saussurea laniceps, Saussurea medusa, Scorzonera hispanica , Selaginella sinensis, Sesamum indicum , Stellera chamaejasme , Stereospermum colais, Strophanthus gratus , Stuckenia pectinata, Symplocos glomerata, Symplocos lancifolia, Symplocos lucida, Syringa reticulata, Syringa vulgaris , Syzygium cumini, Tarenna attenuata, Taxus cuspidata , Taxus mairei , Thuja occidentalis , Torreya jackii, Tsuga heterophylla , Urtica dioica , Valeriana microphylla, Valeriana officinalis , Viburnum foetidum, Viscum coloratum, Vitex negundo, Wikstroemia canescens, Wikstroemia sikokiana, Wikstroemia viridiflora, Xanthium strumarium, Zantedeschia aethiopica , Zanthoxylum ailanthoides, Zanthoxylum beecheyanum, Zanthoxylum kellermanii and Zanthoxylum simulans. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on 4-[(1S,3aS,4S,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652311232020472D          

 26 29  0  0  1  0            999 V2000
    5.2175   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6036   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8585   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    3.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    2.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
 11  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  6  0  0  0
 14 10  1  6  0  0  0
 13 14  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  6  0  0  0
 13 19  1  0  0  0  0
 20 12  1  6  0  0  0
 14 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23  1  1  0  0  0  0
 23 17  1  0  0  0  0
 24  2  1  0  0  0  0
 24 18  1  0  0  0  0
 25 10  1  0  0  0  0
 19 25  1  0  0  0  0
 26  9  1  0  0  0  0
 20 26  1  0  0  0  0
M  END


  Mrv1652311232020472D          

 26 29  0  0  1  0            999 V2000
    5.2175   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6036   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8585   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    3.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    2.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
 11  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  6  0  0  0
 14 10  1  6  0  0  0
 13 14  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  6  0  0  0
 13 19  1  0  0  0  0
 20 12  1  6  0  0  0
 14 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23  1  1  0  0  0  0
 23 17  1  0  0  0  0
 24  2  1  0  0  0  0
 24 18  1  0  0  0  0
 25 10  1  0  0  0  0
 19 25  1  0  0  0  0
 26  9  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0003038

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC(=C1)[C@H]1OC[C@@H]2[C@H]1CO[C@@H]2C1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20-/m1/s1

> <INCHI_KEY>
HGXBRUKMWQGOIE-UYVJDWJCSA-N

> <FORMULA>
C20H22O6

> <MOLECULAR_WEIGHT>
358.39

> <EXACT_MASS>
358.141638428

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
36.91931264816959

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[(1S,3aS,4S,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

> <JCHEM_LOGP>
2.277759547333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.211776789346292

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.60971679801834

> <JCHEM_PKA_STRONGEST_BASIC>
-3.803528853893933

> <JCHEM_POLAR_SURFACE_AREA>
77.38000000000001

> <JCHEM_REFRACTIVITY>
95.1002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-[(1S,3aS,4S,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-NOV-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-NOV-20         0                                  
HETATM    1  C   UNK     0       9.739  -6.756   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.625   3.195   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.745  -4.331   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.924   3.379   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.220  -5.795   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.449   4.844   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.281  -3.507   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.388   2.555   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.775  -3.186   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.894   2.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.835  -1.246   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.835   0.294   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.727  -6.116   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.942   5.164   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.757  -4.971   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.088   4.019   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.203  -7.580   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.466   6.629   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.264  -5.291   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.595   4.340   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.204  -0.476   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.465  -0.476   0.000  0.00  0.00           O+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3    5   11                                                       
CONECT    4    6   12                                                       
CONECT    5    3   15                                                       
CONECT    6    4   16                                                       
CONECT    7   11   17                                                       
CONECT    8   12   18                                                       
CONECT    9   13   26                                                       
CONECT   10   14   25                                                       
CONECT   11    3    7   19                                                  
CONECT   12    4    8   20                                                  
CONECT   13    9   14   19                                                  
CONECT   14   10   13   20                                                  
CONECT   15    5   17   21                                                  
CONECT   16    6   18   22                                                  
CONECT   17    7   15   23                                                  
CONECT   18    8   16   24                                                  
CONECT   19   11   13   25                                                  
CONECT   20   12   14   26                                                  
CONECT   21   15                                                            
CONECT   22   16                                                            
CONECT   23    1   17                                                       
CONECT   24    2   18                                                       
CONECT   25   10   19                                                       
CONECT   26    9   20                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₂O₆

Average Mass

358.3900 Da

Monoisotopic Mass

358.14164 Da

IUPAC Name

4-[(1S,3aS,4S,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

Traditional Name

4-[(1S,3aS,4S,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(=C1)[C@H]1OC[C@@H]2[C@H]1CO[C@@H]2C1=CC(OC)=C(O)C=C1

InChI Identifier

InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20-/m1/s1

InChI Key

HGXBRUKMWQGOIE-UYVJDWJCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies koreana	Plant	KNApSAcK
Abies nephrolepis		LOTUS database
Abies sachalinensis	Plant	KNApSAcK
Abies spectabilis		LOTUS database
Actinidia arguta	Plant	KNApSAcK
Ageratina ligustrina	Plant	KNApSAcK
Allamanda neriifolia	Plant	KNApSAcK
Anastatica hierochuntica		LOTUS database
Anemone chinensis	Plant	KNApSAcK
Angelica furcijuga	Plant	KNApSAcK
Anisacanthus virgularis	Plant	KNApSAcK
Aptosimum spinescens	Plant	KNApSAcK
Aralia bipinnata	Plant	KNApSAcK
Araucaria angustifolia	Plant	KNApSAcK
Arnica mollis	Plant	KNApSAcK
Artemisia arborescens		LOTUS database
Arum italicum	Plant	KNApSAcK
Asarum sieboldii		LOTUS database
Asparagus officinalis		LOTUS database
Balanophora abbreviata B1	Plant	KNApSAcK
Balanophora fungosa		LOTUS database
Balanophora harlandii	Plant	KNApSAcK
Balanophora japonica		LOTUS database
Balanophora latisepala	Plant	KNApSAcK
Berberis koreana		LOTUS database
Bhesa paniculata	Plant	KNApSAcK
Boschniakia rossica	Plant	KNApSAcK
Brassica fruticulosa		LOTUS database
Breynia vitis-idaea		LOTUS database
Brucea javanica		LOTUS database
Brunfelsia hopeana	Plant	KNApSAcK
Bulbophyllum triste	Plant	KNApSAcK
Bupleurum salicifolium	Plant	KNApSAcK
Camellia sinensis		LOTUS database
Cannabis sativa	CannabisDB	Not Available
Carduus assoi	Plant	KNApSAcK
Carduus tenuiflorus	Plant	KNApSAcK
Centaurea calcitrapa		LOTUS database
Centaurea montana		LOTUS database
Chionanthus retusus	Plant	KNApSAcK
Cistanche salsa	Plant	KNApSAcK
Cistanche tubulosa	Plant	KNApSAcK
Clematis stans	Plant	KNApSAcK
Colocasia antiquorum		LOTUS database
Coptis japonica var. dissecta	Plant	KNApSAcK
Cuscuta chinensis	Plant	KNApSAcK
Daphne acutiloba	Plant	KNApSAcK
Daphne feddei		LOTUS database
Daphne genkwa	Plant	KNApSAcK
Daphne giraldii		LOTUS database
Daphne mezereum	Plant	KNApSAcK
Daphne odora	Plant	KNApSAcK
Daphne oleoides spp.	Plant	KNApSAcK
Daphne pseudomezereum	Plant	KNApSAcK
Daphne tangutica	Plant	KNApSAcK
Dendrobium loddigesii		LOTUS database
Dendrobium plicatile		LOTUS database
Diplospora dubia	Plant	KNApSAcK
Doliocarpus dentatus	Plant	KNApSAcK
Eleutherococcus senticosus	Plant	KNApSAcK
Enterococcus faecalis	Bacteria	KNApSAcK
Ephemerantha fimbriata	Plant	KNApSAcK
Eremophila maculata var. brevifolia	Plant	KNApSAcK
Eucalyptus globulus	Plant	KNApSAcK
Eucommia ulmoides	Plant	KNApSAcK
Euphorbia pekinensis	Plant	KNApSAcK
Euterpe oleracea		LOTUS database
Fagraea racemosa	Plant	KNApSAcK
Festuca argentina	Plant	KNApSAcK
Forsythia europaea	Plant	KNApSAcK
Forsythia giraldiana	Plant	KNApSAcK
Forsythia intermedia	Plant	KNApSAcK
Forsythia japonica	Plant	KNApSAcK
Forsythia koreana	Plant	KNApSAcK
Forsythia suspensa	Plant	KNApSAcK
Fraxinus chinensis		LOTUS database
Fraxinus japonica	Plant	KNApSAcK
Fraxinus mandshurica var. japonica	Plant	KNApSAcK
Gnetum montanum		LOTUS database
Goniothalamus amuyon	Plant	KNApSAcK
Gymnadenia conopsea		LOTUS database
Haplophyllum versicolor	Plant	KNApSAcK
Hedyotis lawsoniae		LOTUS database
Helianthus annuus		LOTUS database
Helicteres angustifolia	Plant	KNApSAcK
Helicteres hirsuta		LOTUS database
Hernandia ovigera		LOTUS database
Hibiscus cannabinus	Plant	KNApSAcK
Himatanthus fallax	Plant	KNApSAcK
Hugonia tomentosa	Plant	KNApSAcK
Ipomoea nil		LOTUS database
Isatis tinctoria		LOTUS database
Jasminum simplicifolium	Plant	KNApSAcK
Justicia diffusa var. prostrata	Plant	KNApSAcK
Larix dahurica	Plant	KNApSAcK
Larix decidua	Plant	KNApSAcK
Larix leptolepis	Plant	KNApSAcK
Larix sibirica	Plant	KNApSAcK
Leitneria floridana	Plant	KNApSAcK
Leonurus sibiricus	Plant	KNApSAcK
Ligustrum obtusifolium	Plant	KNApSAcK
Ligustrum ovalifolium	Plant	KNApSAcK
Linum album		LOTUS database
Linum scabrellum	Plant	KNApSAcK
Linum usitatissimum	Plant	KNApSAcK
Liriodendron tulipfera	Plant	KNApSAcK
Liriodendron tulipifera	Plant	KNApSAcK
Lonicera insularis		LOTUS database
Magnolia biondii		LOTUS database
Magnolia coco	Plant	KNApSAcK
Magnolia denudata	Plant	KNApSAcK
Magnolia fargesii	Plant	KNApSAcK
Magnolia kobus var. borealis	Plant	KNApSAcK
Magnolia salicifolia	Plant	KNApSAcK
Melia azedarach		LOTUS database
Melilotus messanensis	Plant	KNApSAcK
Mikania saltensis	Plant	KNApSAcK
Mitragyna speciosa		LOTUS database
Morina chinensis	Plant	KNApSAcK
Morinda citrifolia		LOTUS database
Nardostachys jatamansi	Plant	KNApSAcK
Oenanthe javanica	Plant	KNApSAcK
Onopordum acanthium	Plant	KNApSAcK
Onopordum caricum	Plant	KNApSAcK
Osmanthus asiaticus	Plant	KNApSAcK
Pandanus boninensis		LOTUS database
Pandanus odoratissimus	Plant	KNApSAcK
Pandanus tectorius		LOTUS database
Peperomia blanda		LOTUS database
Peperomia sui	Plant	KNApSAcK
Phlomoides hamosa		LOTUS database
Phyllanthus oxyphyllus		LOTUS database
Picea abies	Plant	KNApSAcK
Picea glauca		LOTUS database
Picea glehnii	Plant	KNApSAcK
Picea jezoensis	Plant	KNApSAcK
Picea obovata	Plant	KNApSAcK
Pinalia floribunda		LOTUS database
Pinus armandii		LOTUS database
Pinus massoniana	Plant	KNApSAcK
Pluchea indica	Plant	KNApSAcK
Pluchea quitoc	Plant	KNApSAcK
Pluchea sagittalis		LOTUS database
Poacynum hendersonii	Plant	KNApSAcK
Polygonatum sibiricum	Plant	KNApSAcK
Poraqueiba paraensis	Plant	KNApSAcK
Punica granatum	Plant	KNApSAcK
Randia dumetorum		LOTUS database
Rhaphidophora decursiva	Plant	KNApSAcK
Rhododendron przewalskii	Plant	KNApSAcK
Rubia yunnanensis		LOTUS database
Rubus amabilis	Plant	KNApSAcK
Sambucus adnata		LOTUS database
Sambucus nigra	Plant	KNApSAcK
Sambucus williamsii		LOTUS database
Saussurea laniceps		LOTUS database
Saussurea medusa	Plant	KNApSAcK
Scorzonera hispanica	Plant	KNApSAcK
Selaginella sinensis	-	KNApSAcK
Sesamum indicum	Plant	KNApSAcK
Stellera chamaejasme	Plant	KNApSAcK
Stereospermum colais		LOTUS database
Strophanthus gratus	Plant	KNApSAcK
Stuckenia pectinata		LOTUS database
Symplocos glomerata		LOTUS database
Symplocos lancifolia	Plant	KNApSAcK
Symplocos lucida	Plant	KNApSAcK
Syringa reticulata	Plant	KNApSAcK
Syringa vulgaris	Plant	KNApSAcK
Syzygium cumini		LOTUS database
Tarenna attenuata	Plant	KNApSAcK
Taxus cuspidata	Plant	KNApSAcK
Taxus mairei	Plant	KNApSAcK
Thuja occidentalis	Plant	KNApSAcK
Torreya jackii	Plant	KNApSAcK
Tsuga heterophylla	Plant	KNApSAcK
Urtica dioica	Plant	KNApSAcK
Valeriana microphylla		LOTUS database
Valeriana officinalis	Plant	KNApSAcK
Viburnum foetidum		LOTUS database
Viscum coloratum		LOTUS database
Vitex negundo		LOTUS database
Wikstroemia canescens		LOTUS database
Wikstroemia sikokiana	Plant	KNApSAcK
Wikstroemia viridiflora	Plant	KNApSAcK
Xanthium strumarium		LOTUS database
Zantedeschia aethiopica	Plant	KNApSAcK
Zanthoxylum ailanthoides	Plant	KNApSAcK
Zanthoxylum beecheyanum		LOTUS database
Zanthoxylum kellermanii	Plant	KNApSAcK
Zanthoxylum simulans		LOTUS database

Chemical Taxonomy

Classification

Not classified

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	2.28	ChemAxon
pKa (Strongest Acidic)	9.61	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	77.38 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	95.1 m³·mol⁻¹	ChemAxon
Polarizability	36.92 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

12309638

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]

Showing NP-Card for Pinoresinol (NP0003038)

MOL for NP0003038 (Pinoresinol)

3D MOL for NP0003038 (Pinoresinol)

3D SDF for NP0003038 (Pinoresinol)

3D-SDF for NP0003038 (Pinoresinol)

PDB for NP0003038 (Pinoresinol)

3D PDB for NP0003038 (Pinoresinol)

SMILES for NP0003038 (Pinoresinol)

INCHI for NP0003038 (Pinoresinol)

Structure for NP0003038 (Pinoresinol)

3D Structure for NP0003038 (Pinoresinol)