NP-MRD: Showing NP-Card for Resveratrol (NP0001738)

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Record Information

Version

1.0

Created at

2020-10-06 22:11:38 UTC

Updated at

2024-04-09 04:20:44 UTC

NP-MRD ID

NP0001738

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Resveratrol

Description

Resveratrol, also known as trans-resveratrol, belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Thus, resveratrol is considered to be an aromatic polyketide. Resveratrol exists in all living species, ranging from bacteria to plants to humans. Resveratrol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Resveratrol is found in Ammopiptanthus mongolicus, Artocarpus chaplasha, Artocarpus gomezianus, Artocarpus lakoocha , Bagassa guianensis, Bolboschoenus fluviatilis, Botrytis cinerea, Caragana tibetica, Cyperus longus, Dracaena cochinchinensis, Elephantorrhiza goetzei, Fagopyrum megacarpum, Fallopia multiflora, Festuca rubra, Gentum parvifolium, Gnetum gnemonoides, Gnetum hainanense, Gnetum klossii, Gnetum latifolium Blume, Gnetum macrostachyum, Gnetum montanum, Gnetum pendulum, Holodiscus discolor, Humulus japonicus, Humulus lupulus, Hydrangea macrophylla, Belamcanda chinensis , Iris halophila, Juniperus polycarpos, Larix gmelinii, Lonchocarpus utilis, Maclura pomifera, Morus alba, Paeonia lactiflora, Paeonia suffruticosa, Pholidota chinensis, Plasmopara viticola, Pleuropterus cilinervis, Pterolobium hexapetalum, Rheum palaestinum, Rheum undulatum, Rumex bucephalophorus, Rumex hastatus, Rumex nepalensis, Salacia lehmbachii, Schizocarphus nervosus, Smilax aspera, Smilax corbularia, Smilax excelsa, Smilax glabra, Smilax perfoliata, Spirotropis longifolia, Streptomyces avermitilis, Streptomyces venezuelae, Syagrus romanzoffiana, Toxylon pomifera, Uncinula necator, Upuna borneensis, Vaccinium alaskaense, Vateria indica, Veratrum taliense, Vitis amurensis, Vitis chunganensis, Vitis davidii, Yucca periculosa and Yucca schidigera. It was first documented in 1999 (PMID: 10824865). Based on a literature review a significant number of articles have been published on Resveratrol (PMID: 16275073) (PMID: 16988123) (PMID: 15517885) (PMID: 15647782).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

NP0001738
     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -6.1172   -0.3742   -0.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7336   -0.2778   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2701   -0.1002    0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219   -0.0073    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.0845    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    0.0203    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -0.0391   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.0661   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    0.2433    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    0.3444    1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    0.5250    2.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    0.2617    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    0.0842   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116   -0.0001   -2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -0.0135   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -0.2602   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -0.3600   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7577   -0.3146    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -0.0386    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    0.1320    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    0.1627    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -0.1786   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478    0.3100    1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812    1.4312    3.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6081    0.3343    0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638   -0.8843   -2.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.1516   -2.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602   -0.3326   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -0.4981   -2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
 15  8  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END


  Mrv1652309272007372D          

 17 18  0  0  0  0            999 V2000
 9998.233410000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.092110000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.805710000.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.664410002.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662110000.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.947710000.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9477 9999.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6621 9999.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3766 9999.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.376610000.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.949510001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.235110002.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.520610001.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.520510000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.235010000.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.949610000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 15  1  0  0  0  0
 12  4  1  0  0  0  0
  1  7  1  0  0  0  0
 11  2  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001738

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

> <INCHI_KEY>
LUKBXSAWLPMMSZ-OWOJBTEDSA-N

> <FORMULA>
C14H12O3

> <MOLECULAR_WEIGHT>
228.247

> <EXACT_MASS>
228.078644246

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
24.551069139354443

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <ALOGPS_LOGP>
2.57

> <JCHEM_LOGP>
3.4023908863333325

> <ALOGPS_LOGS>
-3.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.12809455952825

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.493489164415605

> <JCHEM_PKA_STRONGEST_BASIC>
-6.178025720766969

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
67.4555

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.88e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
resveratrol

> <JCHEM_VEBER_RULE>
0

$$$$

NP0001738
     RDKit          3D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -6.1172   -0.3742   -0.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7336   -0.2778   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2701   -0.1002    0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219   -0.0073    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.0845    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    0.0203    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -0.0391   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.0661   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    0.2433    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    0.3444    1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    0.5250    2.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    0.2617    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    0.0842   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116   -0.0001   -2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -0.0135   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -0.2602   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -0.3600   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7577   -0.3146    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -0.0386    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    0.1320    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    0.1627    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -0.1786   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478    0.3100    1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812    1.4312    3.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6081    0.3343    0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638   -0.8843   -2.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.1516   -2.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602   -0.3326   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -0.4981   -2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
 15  8  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END

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  O   UNK     0    8663.3698668.207   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8668.7058668.207   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8670.0378667.437   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8675.3748670.517   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8666.0368663.588   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8666.0368668.207   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8664.7028667.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8664.7028665.897   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8666.0368665.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.3708665.897   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8667.3708667.437   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8674.0398669.747   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8672.7068670.517   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8671.3728669.746   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8671.3728668.207   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8672.7058667.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8674.0398668.207   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2    3   11                                                       
CONECT    3    2   15                                                       
CONECT    4   12                                                            
CONECT    5    9                                                            
CONECT    6    7   11                                                       
CONECT    7    6    8    1                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10    5                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6    2                                                  
CONECT   12   13   17    4                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16    3                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

COMPND    NP0001738
HETATM    1  O1  UNL     1      -6.117  -0.374  -0.497  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.734  -0.278  -0.287  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.270  -0.100   0.999  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.922  -0.007   1.195  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.027  -0.085   0.162  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.593   0.020   0.421  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.352  -0.039  -0.484  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.781   0.066  -0.221  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.316   0.243   1.031  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.693   0.344   1.283  1.00  0.00           C  
HETATM   11  O2  UNL     1       4.147   0.525   2.598  1.00  0.00           O  
HETATM   12  C10 UNL     1       4.554   0.262   0.220  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.046   0.084  -1.047  1.00  0.00           C  
HETATM   14  O3  UNL     1       4.912  -0.000  -2.126  1.00  0.00           O  
HETATM   15  C12 UNL     1       2.692  -0.013  -1.280  1.00  0.00           C  
HETATM   16  C13 UNL     1      -2.489  -0.260  -1.109  1.00  0.00           C  
HETATM   17  C14 UNL     1      -3.862  -0.360  -1.352  1.00  0.00           C  
HETATM   18  H1  UNL     1      -6.758  -0.315   0.279  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.981  -0.039   1.821  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.524   0.132   2.189  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.241   0.163   1.460  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.056  -0.179  -1.525  1.00  0.00           H  
HETATM   23  H6  UNL     1       1.648   0.310   1.877  1.00  0.00           H  
HETATM   24  H7  UNL     1       4.281   1.431   3.011  1.00  0.00           H  
HETATM   25  H8  UNL     1       5.608   0.334   0.372  1.00  0.00           H  
HETATM   26  H9  UNL     1       5.264  -0.884  -2.408  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.298  -0.152  -2.266  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.860  -0.333  -1.986  1.00  0.00           H  
HETATM   29  H12 UNL     1      -4.270  -0.498  -2.331  1.00  0.00           H  
CONECT    1    2   18
CONECT    2    3    3   17
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6   16
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   15
CONECT    9   10   23
CONECT   10   11   12   12
CONECT   11   24
CONECT   12   13   25
CONECT   13   14   15   15
CONECT   14   26
CONECT   15   27
CONECT   16   17   17   28
CONECT   17   29
END

NP0001738
     RDKit          3D

29 30  0  0  0  0  0  0  0  0999 V2000
   -6.1172   -0.3742   -0.4969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7336   -0.2778   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2701   -0.1002    0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219   -0.0073    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.0845    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    0.0203    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -0.0391   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    0.0661   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    0.2433    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    0.3444    1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    0.5250    2.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    0.2617    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    0.0842   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116   -0.0001   -2.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -0.0135   -1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -0.2602   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -0.3600   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7577   -0.3146    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9805   -0.0386    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    0.1320    2.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    0.1627    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -0.1786   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6478    0.3100    1.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812    1.4312    3.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6081    0.3343    0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638   -0.8843   -2.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.1516   -2.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602   -0.3326   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -0.4981   -2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
 15  8  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
 14 26  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
M  END

View in JSmol

Synonyms

Value	Source
(e)-5-(2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol	ChEBI
(e)-Resveratrol	ChEBI
3,4',5-Stilbenetriol	ChEBI
3,4',5-Trihydroxy-trans-stilbene	ChEBI
3,4',5-Trihydroxystilbene	ChEBI
3,5,4'-Trihydroxystilbene	ChEBI
5-[(e)-2-(4-Hydroxyphenyl)vinyl]benzene-1,3-diol	ChEBI
trans-Resveratrol	Kegg
trans-3,4',5 - Trihydroxystilbene	HMDB
SRT 501	MeSH, HMDB
SRT-501	MeSH, HMDB
trans Resveratrol	MeSH, HMDB
(E)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxyphenyl)ethene	HMDB
(E)-3,4',5-Trihydroxystilbene	HMDB
(E)-3,4’,5-Trihydroxystilbene	HMDB
(E)-5-(p-Hydroxystyryl)resorcinol	HMDB
3,4’,5-Stilbenetriol	HMDB
3,4’,5-Trihydroxy-trans-stilbene	HMDB
3,4’,5-Trihydroxystilbene	HMDB
5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol	HMDB
Resveratrol	HMDB
trans-3,5,4'-Trihydroxystilbene	HMDB
trans-3,5,4’-Trihydroxystilbene	HMDB
(E)-5-[2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol	PhytoBank

Chemical Formula

C₁₄H₁₂O₃

Average Mass

228.2470 Da

Monoisotopic Mass

228.07864 Da

IUPAC Name

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

Traditional Name

resveratrol

CAS Registry Number

Not Available

SMILES

OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1

InChI Identifier

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

InChI Key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Not Available	Not Available	2024-02-02	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Not Available	Not Available	2024-02-02	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Not Available	Not Available	2024-02-02	View Spectrum
1D NMR	[¹³C, ] NMR Spectrum (2D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Not Available	Not Available	2024-02-02	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Not Available	Not Available	2024-02-02	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-06-14	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-06-14	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-06-14	View Spectrum
1D NMR	[¹³C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-06-14	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-06-14	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400Mz MHz, DMSO, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.79 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500.2 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600.133705802 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201.216488466 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400Mz, DMSO, simulated)	Rgf8b			2020-10-06	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	FooDB
Acorus calamus	KNApSAcK Database	22123792
Actinidia chinensis	FooDB	FooDB
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	FooDB
Allium ampeloprasum	FooDB	FooDB
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	FooDB
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	FooDB
Allium schoenoprasum	FooDB	FooDB
Allium tuberosum	FooDB	FooDB
Aloysia triphylla	FooDB	FooDB
Amaranthus	FooDB	FooDB
Amelanchier alnifolia	FooDB	FooDB
Ammopiptanthus mongolicus	LOTUS Database	35616633
Amorpha nana	KNApSAcK Database	22123792
Ampelopsis brevipedunculata	KNApSAcK Database	22123792
Ampelopsis japonica	KNApSAcK Database	22123792
Anacardium occidentale	FooDB	FooDB
Ananas comosus	FooDB	FooDB
Anethum graveolens	FooDB	FooDB
Angelica keiskei	FooDB	FooDB
Annona cherimola	FooDB	FooDB
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anthriscus cerefolium	FooDB	FooDB
Apium graveolens	FooDB	FooDB
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	FooDB
Apium graveolens var. secalinum	FooDB	FooDB
Arachis hypogaea	KNApSAcK Database	22123792
Arctium lappa	FooDB	FooDB
Armoracia rusticana	FooDB	FooDB
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus chama	Plant	KNApSAcK
Artocarpus chaplasha	KNApSAcK Database	22123792
Artocarpus dadah	KNApSAcK Database	22123792
Artocarpus gomezianus	LOTUS Database	35616633
Artocarpus heterophyllus	FooDB	FooDB
Artocarpus lacucha	Plant	KNApSAcK
Artocarpus lakoocha	KNApSAcK Database	22123792
Asparagus officinalis	FooDB	FooDB
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	FooDB
Averrhoa carambola	FooDB	FooDB
Bagassa guianensis	LOTUS Database	35616633
Basella alba	FooDB	FooDB
Bauhinia racemosa	KNApSAcK Database	22123792
Belamcanda chinensis	KNApSAcK Database	22123792
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	FooDB
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	FooDB
Bolboschoenus fluviatilis	LOTUS Database	35616633
Borago officinalis	FooDB	FooDB
Botrytis cinerea	-	KNApSAcK
Brassica alboglabra	FooDB	FooDB
Brassica juncea	FooDB	FooDB
Brassica napus	FooDB	FooDB
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	FooDB
Brassica oleracea var. botrytis	FooDB	FooDB
Brassica oleracea var. capitata	FooDB	FooDB
Brassica oleracea var. gemmifera	FooDB	FooDB
Brassica oleracea var. gongylodes	FooDB	FooDB
Brassica oleracea var. italica	FooDB	FooDB
Brassica oleracea var. sabauda	FooDB	FooDB
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	FooDB
Brassica rapa ssp. chinensis	FooDB	FooDB
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	FooDB
Brassica ruvo	FooDB	FooDB
Brosimum alicastrum	FooDB	FooDB
Broussonetia papyrifera	KNApSAcK Database	22123792
Byrsonima crassifolia	FooDB	FooDB
Caesalpinia decapetala	KNApSAcK Database	22123792
Cajanus cajan	FooDB	FooDB
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	FooDB
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	FooDB
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Caragana tibetica	LOTUS Database	35616633
Caragana tibetica KOM.	KNApSAcK Database	22123792
Carica papaya L.	FooDB	FooDB
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	FooDB
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	FooDB
Cassia dentata	KNApSAcK Database	22123792
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceratonia siliqua	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	FooDB
Cichorium endivia	FooDB	FooDB
Cichorium intybus	FooDB	FooDB
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Cissus antarctica	KNApSAcK Database	22123792
Cissus quadrangularis	KNApSAcK Database	22123792
Citrullus lanatus	FooDB	FooDB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	FooDB
Citrus aurantiifolia	FooDB	FooDB
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	FooDB
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	FooDB
Citrus reticulata	FooDB	FooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	FooDB
Cocos nucifera	FooDB	FooDB
Coffea arabica L.	FooDB	PHYTOHUB
Coffea canephora	FooDB	PHYTOHUB
Colocasia esculenta	FooDB	FooDB
Corchorus olitorius	FooDB	FooDB
Coriandrum sativum L.	FooDB	FooDB
Corylus	FooDB	FooDB
Corylus avellana	FooDB	FooDB
Corymbia haematoxylon	KNApSAcK Database	22123792
Corymbia papuana	KNApSAcK Database	22123792
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	FooDB
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	FooDB
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	FooDB
Cucurbita moschata	FooDB	FooDB
Cudrania javanensis	KNApSAcK Database	22123792
Cuminum cyminum	FooDB	FooDB
Curcuma longa	FooDB	FooDB
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	FooDB
Cyperus longus	LOTUS Database	35616633
Daucus carota	FooDB	FooDB
Daucus carota ssp. sativus	FooDB	FooDB
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	FooDB
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Dracaena cochinchinensis	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Elephantorrhiza goetzei	LOTUS Database	35616633
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Eragrostis tef	FooDB	FooDB
Eriobotrya japonica	FooDB	FooDB
Eruca vesicaria subsp. Sativa	FooDB	FooDB
Eucalyptus abergiana	KNApSAcK Database	22123792
Eucalyptus astringens	KNApSAcK Database	22123792
Eucalyptus caesia	KNApSAcK Database	22123792
Eucalyptus calophylla	KNApSAcK Database	22123792
Eucalyptus campospe	KNApSAcK Database	22123792
Eucalyptus citriodora	KNApSAcK Database	22123792
Eucalyptus crebra	KNApSAcK Database	22123792
Eucalyptus decorticans	KNApSAcK Database	22123792
Eucalyptus dichromophloia	KNApSAcK Database	22123792
Eucalyptus eremophila	KNApSAcK Database	22123792
Eucalyptus erythrophloia	KNApSAcK Database	22123792
Eucalyptus ficifolia	KNApSAcK Database	22123792
Eucalyptus gardneri	KNApSAcK Database	22123792
Eucalyptus griffithsii	KNApSAcK Database	22123792
Eucalyptus grossa	KNApSAcK Database	22123792
Eucalyptus gummifera	KNApSAcK Database	22123792
Eucalyptus intermedia	KNApSAcK Database	22123792
Eucalyptus maculata	KNApSAcK Database	22123792
Eucalyptus melonophlo	KNApSAcK Database	22123792
Eucalyptus nowraensis	KNApSAcK Database	22123792
Eucalyptus nutans	KNApSAcK Database	22123792
Eucalyptus platypus	KNApSAcK Database	22123792
Eucalyptus polycarpa	KNApSAcK Database	22123792
Eucalyptus pruinosa	KNApSAcK Database	22123792
Eucalyptus sargenti	KNApSAcK Database	22123792
Eucalyptus sideroxylon	KNApSAcK Database	22123792
Eucalyptus stricklandii	KNApSAcK Database	22123792
Eucalyptus trachyphloia	KNApSAcK Database	22123792
Eucalyptus wandoo	KNApSAcK Database	22123792
Eucalyptus woodwardii	KNApSAcK Database	22123792
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	FooDB
Fagopyrum megacarpum	LOTUS Database	35616633
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Fallopia multiflora	LOTUS Database	35616633
Feijoa sellowiana	FooDB	FooDB
Festuca argentina	KNApSAcK Database	22123792
Festuca arundinacea	KNApSAcK Database	22123792
Festuca rubra	LOTUS Database	35616633
Festuca versuta	KNApSAcK Database	22123792
Ficus carica	FooDB	FooDB
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	FooDB
Fragaria x ananassa	FooDB	FooDB
Garcinia mangostana	FooDB	FooDB
Gaylussacia baccata	FooDB	FooDB
Gentum parvifolium	-	KNApSAcK
Ginkgo biloba	FooDB	FooDB
Glycine max	FooDB	FooDB
Gnetum gnemon	KNApSAcK Database	22123792
Gnetum gnemonoides	LOTUS Database	35616633
Gnetum hainanense	LOTUS Database	35616633
Gnetum klossii	LOTUS Database	35616633
Gnetum latifolium	Plant	KNApSAcK
Gnetum latifolium Blume	KNApSAcK Database	22123792
Gnetum macrostachyum	LOTUS Database	35616633
Gnetum montanum	LOTUS Database	35616633
Gnetum parvifolium	KNApSAcK Database	22123792
Gnetum pendulum	LOTUS Database	35616633
Gnetum pendulum C.Y.	KNApSAcK Database	22123792
Gnetum venosum	KNApSAcK Database	22123792
Gossypium	FooDB	FooDB
Grifola frondosa	FooDB	FooDB
Haplormosia monophylla	KNApSAcK Database	22123792
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	FooDB
Hibiscus sabbariffa	FooDB	FooDB
Hippophae rhamnoides	FooDB	FooDB
Holodiscus discolor	LOTUS Database	35616633
Hopea utilis	KNApSAcK Database	22123792
Hordeum bogdanii	KNApSAcK Database	22123792
Hordeum brachyantherum	KNApSAcK Database	22123792
Hordeum vulgare	FooDB	FooDB
Humulus japonicus	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hydrangea macrophylla	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	FooDB
Illicium verum	FooDB	FooDB
Intsia bijuga	KNApSAcK Database	22123792
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	FooDB
Iris domestica	Plant	KNApSAcK
Iris halophila	LOTUS Database	35616633
Juglans	FooDB	FooDB
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	FooDB
Juglans regia	FooDB	FooDB
Juniperus polycarpos	LOTUS Database	35616633
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	FooDB
Lagenaria siceraria	FooDB	FooDB
Larix gmelini	LOTUS Database	35616633
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	FooDB
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	FooDB
Levisticum officinale	FooDB	FooDB
Linum usitatissimum	FooDB	FooDB
Litchi chinensis	FooDB	FooDB
Lolium spp.	KNApSAcK Database	22123792
Lonchocarpus utilis	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	FooDB
Maackia amurensis	KNApSAcK Database	22123792
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Maclura pomifera	LOTUS Database	35616633
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	FooDB
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	FooDB
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	FooDB
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Momordica charantia	FooDB	FooDB
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	KNAPSACK
Morus alba	LOTUS Database	35616633
Morus nigra	FooDB	FooDB
Morus spp.	KNApSAcK Database	22123792
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	FooDB
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	FooDB
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Nothofagus spp.	KNApSAcK Database	22123792
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	FooDB
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	FooDB
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	FooDB
Origanum X majoricum	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	FooDB
Pachyrhizus erosus	FooDB	FooDB
Paeonia lactiflora	LOTUS Database	35616633
Paeonia suffruticosa	LOTUS Database	35616633
Panax ginseng	FooDB	FooDB
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Parthenocissus quinquefolia	KNApSAcK Database	22123792
Parthenocissus tricuspidata	KNApSAcK Database	22123792
Passiflora edulis	FooDB	FooDB
Pastinaca sativa	FooDB	FooDB
Pediomelum esculentum	FooDB	FooDB
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	FooDB
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	FooDB
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	FooDB
Phoenix dactylifera	KNApSAcK Database	22123792
Pholidota chinensis Lindl.	LOTUS Database	35616633
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Picea abies	KNApSAcK Database	22123792
Picea bicolor	KNApSAcK Database	22123792
Picea excelsa	KNApSAcK Database	22123792
Picea glehnii	KNApSAcK Database	22123792
Picea jezoensis	KNApSAcK Database	22123792
Picea koraiensis	KNApSAcK Database	22123792
Picea koyamae	KNApSAcK Database	22123792
Picea obovata	KNApSAcK Database	22123792
Picea ojanensis	KNApSAcK Database	22123792
Picea torano	KNApSAcK Database	22123792
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	KNAPSACK
Pinus edulis	FooDB	FooDB
Pinus sibirica	KNApSAcK Database	22123792
Pinus spp.	KNApSAcK Database	22123792
Piper nigrum L.	FooDB	FooDB
Pistacia vera	FooDB	PHYTOHUB
Pisum sativum	FooDB	FooDB
Plasmopara viticola	-	KNApSAcK
Pleuropterus cilinervis	-	KNApSAcK
Pleurotus ostreatus	FooDB	FooDB
Poa alsodes	KNApSAcK Database	22123792
Polygonum alpinum	FooDB	FooDB
Polygonum cuspidatum	KNApSAcK Database	22123792
Polygonum multiflorum	KNApSAcK Database	22123792
Portulaca oleracea	FooDB	FooDB
Pouteria sapota	FooDB	FooDB
Prunus armeniaca	FooDB	FooDB
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	FooDB
Prunus dulcis	FooDB	FooDB
Prunus persica	FooDB	FooDB
Prunus persica var. nucipersica	FooDB	FooDB
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	FooDB
Psophocarpus tetragonolobus	FooDB	FooDB
Pterolobium hexapetallum	KNApSAcK Database	22123792
Pterolobium hexapetalum	LOTUS Database	35616633
Punica granatum	FooDB	FooDB
Pyrus communis	FooDB	FooDB
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Raphanus sativus	FooDB	FooDB
Raphanus sativus var. longipinnatus	FooDB	FooDB
Raphanus sativus var. sativus	FooDB	FooDB
Rheum palaestinum	LOTUS Database	35616633
Rheum rhabarbarum	FooDB	FooDB
Rheum rhaponticum	KNApSAcK Database	22123792
Rheum undulatum	LOTUS Database	35616633
Rheum wittrocki	KNApSAcK Database	22123792
Rhoicissus rhomboidea	KNApSAcK Database	22123792
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	FooDB
Ribes rubrum	FooDB	FooDB
Ribes uva-crispa	FooDB	FooDB
Rosa	FooDB	FooDB
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	KNApSAcK Database	22123792
Rubus occidentalis	KNApSAcK Database	22123792
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Rumex bucephalophorus	LOTUS Database	35616633
Rumex hastatus	LOTUS Database	35616633
Rumex nepalensis	LOTUS Database	35616633
Sagittaria latifolia	FooDB	FooDB
Salacia lehmbachii	LOTUS Database	35616633
Salix pulchra	FooDB	FooDB
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Schizocarphus nervosus	LOTUS Database	35616633
Scilla nervosa	KNApSAcK Database	22123792
Scirpus fluviatilis	KNApSAcK Database	22123792
Scirpus maritimus	KNApSAcK Database	22123792
Scorzonera hispanica	FooDB	FooDB
Secale cereale	FooDB	FooDB
Sechium edule	FooDB	FooDB
Sesamum indicum	FooDB	FooDB
Sesbania bispinosa	FooDB	FooDB
Sinapis alba	FooDB	FooDB
Sisymbrium	FooDB	FooDB
Smilax aspera	LOTUS Database	35616633
Smilax aspera subsp.mauritanica (POIR.) ARCANG.	KNApSAcK Database	22123792
Smilax bracteata	KNApSAcK Database	22123792
Smilax corbularia	LOTUS Database	35616633
Smilax excelsa	LOTUS Database	35616633
Smilax glabra	LOTUS Database	35616633
Smilax menispermoidea	KNApSAcK Database	22123792
Smilax perfoliata	LOTUS Database	35616633
Solanum lycopersicum	FooDB	PHYTOHUB
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	FooDB
Solanum melongena	FooDB	FooDB
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	FooDB
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	FooDB
Spiraea formosana	KNApSAcK Database	22123792
Spirotropis longifolia	LOTUS Database	35616633
Stipa robusta	KNApSAcK Database	22123792
Streptomyces avermitilis	LOTUS Database	35616633
Streptomyces venezuelae	LOTUS Database	35616633
Syagrus romanzoffiana	LOTUS Database	35616633
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	FooDB
Taraxacum officinale	FooDB	FooDB
Tetragonia tetragonioides	FooDB	FooDB
Thelesperma	FooDB	FooDB
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Toxylon pomifera	-	KNApSAcK
Tragopogon porrifolius	FooDB	FooDB
Trifolium campestre	KNApSAcK Database	22123792
Trifolium dubium	KNApSAcK Database	22123792
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	FooDB
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Typha angustifolia	FooDB	FooDB
Uncinula necator	-	KNApSAcK
Upuna borneensis	LOTUS Database	35616633
Vaccinium	FooDB	FooDB
Vaccinium alaskaense	KNApSAcK Database	22123792
Vaccinium angustifolium	KNApSAcK Database	22123792
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	PHYTOHUB
Vaccinium corymbosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	PHYTOHUB
Vaccinium ovalifolium	Plant	KNApSAcK
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	PHYTOHUB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	PHYTOHUB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	PHYTOHUB
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Vateria indica	LOTUS Database	35616633
Vatica rassak	KNApSAcK Database	22123792
Veratrum album	KNApSAcK Database	22123792
Veratrum grandiflorum	KNApSAcK Database	22123792
Veratrum nigrum var.ussuriense	KNApSAcK Database	22123792
Veratrum taliense	LOTUS Database	35616633
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	KNApSAcK Database	22123792
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	FooDB
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	FooDB
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Vitis	FooDB	FooDB
Vitis aestivalis	FooDB	FooDB
Vitis amurensis	LOTUS Database	35616633
Vitis chunganensis	LOTUS Database	35616633
Vitis cognetiae	KNApSAcK Database	22123792
Vitis davidii	LOTUS Database	35616633
Vitis labrusca	FooDB	FooDB
Vitis riparia	KNApSAcK Database	22123792
Vitis rotundifolia	FooDB	FooDB
Vitis rupestris	KNApSAcK Database	22123792
Vitis vinifera	KNApSAcK Database	22123792
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Xanthosoma sagittifolium	FooDB	FooDB
Yucca periculosa	LOTUS Database	35616633
Yucca periculosa F.Baker	KNApSAcK Database	22123792
Yucca schidigera	LOTUS Database	35616633
Zea mays L.	FooDB	FooDB
Zingiber officinale	FooDB	FooDB
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Species Where Detected

Species Name	Source	Reference
Rhizopus stolonifer	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	254.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	449.00 to 450.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	275 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	3.139 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	2.57	ALOGPS
logP	3.4	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-6.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	60.69 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	67.46 m³·mol⁻¹	ChemAxon
Polarizability	24.55 Å³	ChemAxon
Number of Rings	2	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

HMDB0003747

DrugBank ID

DB02709

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Resveratrol

METLIN ID

Not Available

PubChem Compound

445154

PDB ID

Not Available

ChEBI ID

45713

Good Scents ID

rw1588831

References

General References

Olas B, Zbikowska HM, Wachowicz B, Krajewski T, Buczynski A, Magnuszewska A: Inhibitory effect of resveratrol on free radical generation in blood platelets. Acta Biochim Pol. 1999;46(4):961-6. [PubMed:10824865 ]
Vilar S, Quezada E, Santana L, Uriarte E, Yanez M, Fraiz N, Alcaide C, Cano E, Orallo F: Design, synthesis, and vasorelaxant and platelet antiaggregatory activities of coumarin-resveratrol hybrids. Bioorg Med Chem Lett. 2006 Jan 15;16(2):257-61. doi: 10.1016/j.bmcl.2005.10.013. Epub 2005 Nov 3. [PubMed:16275073 ]
Niles RM, Cook CP, Meadows GG, Fu YM, McLaughlin JL, Rankin GO: Resveratrol is rapidly metabolized in athymic (nu/nu) mice and does not inhibit human melanoma xenograft tumor growth. J Nutr. 2006 Oct;136(10):2542-6. doi: 10.1093/jn/136.10.2542. [PubMed:16988123 ]
Aggarwal BB, Bhardwaj A, Aggarwal RS, Seeram NP, Shishodia S, Takada Y: Role of resveratrol in prevention and therapy of cancer: preclinical and clinical studies. Anticancer Res. 2004 Sep-Oct;24(5A):2783-840. [PubMed:15517885 ]
Olas B, Nowak P, Wachowicz B: Resveratrol protects against peroxynitrite-induced thiol oxidation in blood platelets. Cell Mol Biol Lett. 2004;9(4A):577-87. [PubMed:15647782 ]

Showing NP-Card for Resveratrol (NP0001738)

MOL for NP0001738 (Resveratrol)

3D MOL for NP0001738 (Resveratrol)

3D SDF for NP0001738 (Resveratrol)

3D-SDF for NP0001738 (Resveratrol)

PDB for NP0001738 (Resveratrol)

3D PDB for NP0001738 (Resveratrol)

SMILES for NP0001738 (Resveratrol)

INCHI for NP0001738 (Resveratrol)

Structure for NP0001738 (Resveratrol)

3D Structure for NP0001738 (Resveratrol)