Summary

IMPPAT Phytochemical identifier: IMPHY014616

Phytochemical name: (1Z,4Z)-1,5-Bis(4-hydroxyphenyl)-1,4-pentadiene

Synonymous chemical names:
di-(p-hydroxy-cis-styryl)methane

External chemical identifiers:
CID:102326871, ChEBI:172493, ZINC:ZINC000222558530, SureChEMBL:SCHEMBL23728175

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=CC/C=Cc1ccc(cc1)O

InChI:
InChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2/b4-2-,5-3-

InChIKey:
YAICIVXHPPILRT-JVLMNHKTSA-N

DeepSMILES:
Occcccc6))/C=CC/C=Ccccccc6))O

Functional groups:
c/C=CC, cO

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC(CCCCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.664

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Chemical structure download