Summary

IMPPAT Phytochemical identifier: IMPHY002200

Phytochemical name: Stilbene-3,4'-diol

Synonymous chemical names:
3,4-dihydroxystilbene

External chemical identifiers:
CID:10171348, ChEMBL:CHEMBL2230272, ZINC:ZINC000013833126, SureChEMBL:SCHEMBL720092, MolPort-046-203-967

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/c1cccc(c1)O

InChI:
InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+

InChIKey:
UFGKEFGYNRJIGO-SNAWJCMRSA-N

DeepSMILES:
Occcccc6))/C=C/cccccc6)O

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

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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: 0.572

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Chemical structure download