Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000422

Phytochemical name: Methyleugenol

Synonymous chemical names:
methyl eugenol*, eugenol methylether, 1,2-dimethoxy-4-allyl-benzene, methyl euganol, eugenol-methyl-ether, meth yleugenol, methyleujenol, metyl eugenol, Methyl eugenol, methyl eugenyl ether, methyleugenol, methyl eugenol, *methyleugenol, methyl eugenol4, methyl eugenol, methyl-eugenol, eugenol methyl ether, Methyleugenol, Eugenol methyl ether, met h yleugenol, 3,4-dimethoxy-allyl-benzene

External chemical identifiers:
CID:CID_7127, ChEMBL:CHEMBL108861, ChEBI:CHEBI:4918, ZINC:ZINC000000388674, FDASRS:29T9VA6R7M, SureChEMBL:SCHEMBL113794, MolPort-000-154-691

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Chemical structure information

SMILES:
C=CCc1ccc(c(c1)OC)OC

InChI:
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

InChIKey:
ZYEMGPIYFIJGTP-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6)OC)))OC

Functional groups:
C=CC, 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: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.385

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Chemical structure download