Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003315

Phytochemical name: Resveratrol

Synonymous chemical names:
3,5,4-trihydroxystilbene, trans-resveratrol, resveratrol ( 3,4',5-trihydroxystilbene), 3,5,4'-trihydroxystilbene, resveratrol, Resveratrol, e-resveratrol, (e)-resveratrol, (z)-1-(3,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene

External chemical identifiers:
CID:CID_445154, ChEMBL:CHEMBL165, ChEBI:CHEBI:45713, ZINC:ZINC000000006787, FDASRS:Q369O8926L, SureChEMBL:SCHEMBL19425, MolPort-002-499-801

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O

InChI:
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+

InChIKey:
LUKBXSAWLPMMSZ-OWOJBTEDSA-N

DeepSMILES:
Occcccc6))/C=C/cccO)ccc6)O

Functional groups:
cO, c/C=C/c

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS078902, MSBNK-MPI_for_Chemical_Ecology-CE000094, MSBNK-MPI_for_Chemical_Ecology-CE000095, MSBNK-MPI_for_Chemical_Ecology-CE000096, MSBNK-MPI_for_Chemical_Ecology-CE000097, MSBNK-RIKEN_ReSpect-PS078901, MSBNK-RIKEN_ReSpect-PS078903, MSBNK-RIKEN_ReSpect-PS078907, MSBNK-RIKEN_ReSpect-PS078908, MSBNK-Washington_State_Univ-BML00641, MSBNK-IPB_Halle-PB006263, MSBNK-Washington_State_Univ-BML00673, MSBNK-Washington_State_Univ-BML00681, MSBNK-Washington_State_Univ-BML00689, MSBNK-Washington_State_Univ-BML82055, MSBNK-Washington_State_Univ-BML82056, MSBNK-Washington_State_Univ-BML82057, MSBNK-Washington_State_Univ-BML82058, MSBNK-RIKEN_ReSpect-PS078909, MSBNK-IPB_Halle-PB006262, MSBNK-MPI_for_Chemical_Ecology-CE000093, MSBNK-IPB_Halle-PB003662, MSBNK-BS-BS003067, MSBNK-BS-BS003068, MSBNK-BS-BS003069, MSBNK-BS-BS003070, MSBNK-BS-BS003071, MSBNK-Eawag-EQ324101, MSBNK-IPB_Halle-PB006261, MSBNK-Eawag-EQ324105, MSBNK-Eawag-EQ324106, MSBNK-Eawag-EQ324103, MSBNK-IPB_Halle-PB000642, MSBNK-IPB_Halle-PB000641, MSBNK-IPB_Halle-PB002424, MSBNK-IPB_Halle-PB002423, MSBNK-IPB_Halle-PB002422, MSBNK-IPB_Halle-PB003661, MSBNK-IPB_Halle-PB000661, MSBNK-IPB_Halle-PB000643, MSBNK-IPB_Halle-PB002421

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.754

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Chemical structure download