1'-Sulfoxyelemicin is a metabolite of elemicin presumed to be made in mice. No reports are found of it forming in humans. Predictions performed using physiologically based kinetic (PBK) models show that this presumed metabolite is likely to form from elemicin in very small quantities in humans.
1'-Sulfoxyelemicin is created from elemicin's intermediate metabolite 1'-hydroxyelemicin by the action of sulfotransferase (SULT). The SULT enzymes SULT1A1 and SULT1A3 were found to perform this action on the related compound 1'-hydroxyestragole and are assumed to also carry out this action on 1'-hydroxyelemicin.
The action of SULT on 1'-hydroxyelemicin brings the XLogP3 of 1.4 for 1'-hydroxyelemicin up to 1.41 for 1'-sulfoxyelemicin. SULT prevents 1'-hydroxyelemicin from forming 1'-oxoelemicin, thereby preventing alkaloid formation.
Molecular Weight: 304.35 [g/mol]
Canonical SMILES: C=CC(C1=CC(=C(C(=C1)OC)OC)OC)O[S](=O)(=O)O