3'-Oxomethylisoeugenol is an α,β-unsaturated aldehyde metabolite of methyl eugenol found in vitro.[1] It's also a metabolite of methyl isoeugenol found in vitro.[2]

Chemical Properties

PubChem Compound ID: 107557
Molecular Weight: 192.21118 [g/mol]
Molecular Formula: C11H12O3
XLogP3: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: 3-(3,4-dimethoxyphenyl)prop-2-enal
InChI: InChI=1S/C11H12O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-8H,1-2H3
Canonical SMILES : COC1=C(C=C(C=C1)C=CC=O)OC

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
2. Metabolism of methylisoeugenol in liver microsomes of human, rat, and bovine origin.
Cartus AT, Merz KH, Schrenk D. PubMed PMID: 21632962
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