3'-Hydroxymethylisoeugenol
3'-Hydroxymethylisoeugenol is as a major metabolite of methyl eugenol in vitro.[1]
Chemical Properties
PubChem Compound ID: 362711
Molecular Weight: 194.22706 [g/mol]
Molecular Formula: C11H14O3
XLogP3: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
InChI: InChI=1S/C11H14O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8,12H,7H2,1-2H3
InChIKey: OYICGYUCCHVYRR-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C=C1)C=CCO)OC
Bibliography
1. Metabolism of methyleugenol in liver microsomes and primary hepatocytes: pattern of metabolites, cytotoxicity, and DNA-adduct formation.
Cartus AT, Herrmann K, Weishaupt LW, Merz KH, Engst W, Glatt H, Schrenk D. PubMed PMID: 22610610page revision: 2, last edited: 22 Feb 2013 22:34