Summary

IMPPAT Phytochemical identifier: IMPHY011629

Phytochemical name: cis-Isoeugenol

Synonymous chemical names:
(z)-isoeugenol, cis isoeugenol, cis-isoeugenol

External chemical identifiers:
CID:1549041, ChEMBL:CHEMBL445206, ChEBI:50543, ZINC:ZINC000012405001, FDASRS:2A4KEV8DNH, SureChEMBL:SCHEMBL300766

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Chemical structure information

SMILES:
C/C=Cc1ccc(c(c1)OC)O

InChI:
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3-

InChIKey:
BJIOGJUNALELMI-ARJAWSKDSA-N

DeepSMILES:
C/C=Ccccccc6)OC)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.112

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Chemical structure download