Summary

IMPPAT Phytochemical identifier: IMPHY009883

Phytochemical name: (Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene

Synonymous chemical names:
cis-3,5,3',5'-tetrahydroxy-4-methoxy-stilbene

External chemical identifiers:
CID:13499471, ChEBI:174600

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Chemical structure information

SMILES:
COc1c(O)cc(cc1O)/C=Cc1cc(O)cc(c1)O

InChI:
InChI=1S/C15H14O5/c1-20-15-13(18)6-10(7-14(15)19)3-2-9-4-11(16)8-12(17)5-9/h2-8,16-19H,1H3/b3-2-

InChIKey:
BKJYMZRGLINXRP-IHWYPQMZSA-N

DeepSMILES:
COccO)cccc6O)))/C=CcccO)ccc6)O

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

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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: 1.03

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Chemical structure download