Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005836

Phytochemical name: Piceatannol

Synonymous chemical names:
Piceatannol, e-piceatannol, piceatannol

External chemical identifiers:
CID:CID_667639, ChEMBL:CHEMBL69863, ChEBI:CHEBI:28814, ZINC:ZINC000000014036, FDASRS:6KS3LS0D4F, SureChEMBL:SCHEMBL43541, MolPort-001-740-425

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Chemical structure information

SMILES:
Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O

InChI:
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+

InChIKey:
CDRPUGZCRXZLFL-OWOJBTEDSA-N

DeepSMILES:
Occc/C=C/cccccc6)O))O)))))))ccc6)O

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

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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: 1.035

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Chemical structure download