6-Hydroxymethyleugenol
6-Hydroxymethyleugenol.png

6-Hydroxymethyleugenol is an allylbenzene. Its found as a major metabolite of methyl eugenol in vitro.[1]

Chemical Properties

PubChem Compound ID: 10997884
Molecular Weight: 194.22706 [g/mol]
Molecular Formula: C11H14O3
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 4,5-dimethoxy-2-prop-2-enylphenol
InChI: InChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
InChIKey: IHAVVJBEVFMSES-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C(=C1)CC=C)O)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: 22610610
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