4-Methoxycinnamic acid is a presumed metabolite of methyl chavicol which is a direct precursor for the glycine conjugate 4-methoxycinnamoylglycine found in human urine as a metabolite of methyl chavicol.
4-Methoxycinnamic acid is presumed to form from an aldehyde metabolite of methyl chavicol called 4-methoxycinnamaldehyde. Neither have been detected in human urine, but these are the direct pathway to forming 4-methoxycinnamoylglycine. Because other allylbenzenes such as methyl eugenol are proven to form aldehydes, it's very likely that this metabolic route also occurs with methyl chavicol, given the presence of 4-methoxycinnamoylglycine in human urine.
Chemical Properties
PubChem Compound ID: 13245
Molecular Weight: 178.1846 [g/mol]
Molecular Formula: C10H10O3
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 3-(4-methoxyphenyl)prop-2-enoic acid
InChI: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)
InChIKey: AFDXODALSZRGIH-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=C(C=C1)C=CC(=O)O
