Summary

IMPPAT Phytochemical identifier: IMPHY001631

Phytochemical name: 1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene

Synonymous chemical names:
cis-hinokiresinol

External chemical identifiers:
CID:157288, ChEBI:131953

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Chemical structure information

SMILES:
C=CC(c1ccc(cc1)O)C=Cc1ccc(cc1)O

InChI:
InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2

InChIKey:
VEAUNWQYYMXIRB-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6))O)))))C=Ccccccc6))O

Functional groups:
C=CC, cC=CC, cO

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC(CCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.172

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Chemical structure download