A presumed metabolite in man detected after oral use of the allylbenzene eugenol. The structure of the metabolite was tentatively deduced from mass spectra only, as reference compounds were not available. [1]

Chemical Properties

Synonyms: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-allylbenzene
PubChem Compound ID: 67004927
Molecular Weight: 180.20048 [g/mol]
Molecular Formula: C10H12O3
XLogP3: 1.3
IUPAC Name: 4-(3-hydroxyprop-2-enyl)-2-methoxyphenol
InChI: InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2,4-7,11-12H,3H2,1H3
Canonical SMILES: COC1=C(C=CC(=C1)CC=CO)O

1. Fischer IU, von Unruh GE, Dengler HJ.; The metabolism of eugenol in man; Medizinische Universitätsklinik Bonn, FRG; Xenobiotica. 1990 Feb;20(2):209-22.; PubMed PMID: 2333717
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