Summary

IMPPAT Phytochemical identifier: IMPHY008155

Phytochemical name: (E)-5-(4-Methoxystyryl)benzene-1,3-diol

Synonymous chemical names:
35-dihydroxy-4-methoxystilbene, desoxyrhapontigenin

External chemical identifiers:
CID:6255462, ChEMBL:CHEMBL291501, ZINC:ZINC000003978779, SureChEMBL:SCHEMBL563261, MolPort-003-666-051

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/c1cc(O)cc(c1)O

InChI:
InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+

InChIKey:
IHVRWFJGOIWMGC-NSCUHMNNSA-N

DeepSMILES:
COcccccc6))/C=C/cccO)ccc6)O

Functional groups:
c/C=C/c, 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: 0.513

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Chemical structure download