Summary
IMPPAT Phytochemical identifier: IMPHY006696
Phytochemical name: Methyleugenol
Synonymous chemical names:*methyleugenol, 1,2-dimethoxy-4-allyl-benzene, 3,4-dimethoxy-allyl-benzene, eugenol methyl ether, eugenol methylether, eugenol-methyl-ether, met h yleugenol, meth yleugenol, methyl eugenol, methyl euganol, methyl eugenol, methyl eugenol*, methyl eugenol4, methyl eugenyl ether, methyl-eugenol, methyleugenol, methyleujenol, metyl eugenol
External chemical identifiers:CID:7127, ChEMBL:CHEMBL108861, ChEBI:4918, ZINC:ZINC000000388674, FDASRS:29T9VA6R7M, SureChEMBL:SCHEMBL113794, MolPort-000-154-691
Chemical structure information
SMILES:
C=CCc1ccc(c(c1)OC)OCInChI:
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3InChIKey:
ZYEMGPIYFIJGTP-UHFFFAOYSA-NDeepSMILES:
C=CCcccccc6)OC)))OCFunctional groups:
C=CC, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire 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
Chemical structure download