Chavicol-O-sulfate
chavicol-O-sulfate.png

Chavicol-O-sulfate is a metabolite of methyl chavicol and chavicol. Sulfotransferase (SULT) readily attacks chavicol (a metabolite of methyl chavicol) on the 4 hydroxy position of the benzene ring producing chavicol-O-sulfate. This action reduces the lipid solubility from chavicol's XLogP3 of 2.9 down to chavicol-O-sulfate's XLogP3 of 2.

Chemical Properties

PubChem Compound ID: 66633409
Molecular Weight: 214.2383 [g/mol]
Molecular Formula: C9H10O4S
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name: (4-prop-2-enylphenyl) hydrogen sulfate
InChI: InChI=1S/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,
10,11,12)
InChIKey: KFDHKOFCRYUXLA-UHFFFAOYSA-N
Canonical SMILES: C=CCC1=CC=C(C=C1)OS(=O)(=O)O

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