Limpanuparb, Taweetham published the artcileAn in silico investigation of menthol metabolism, Related Products of alcohols-buliding-blocks, the main research area is menthol metabolism signaling glucuronic acid.
Prevalence of mentholated products for consumption has brought great importance to studies on menthol’s metabolic pathways to ensure safety, design more potent derivatives, and identify therapeutic benefits. Proposed pathways of (-)-menthol metabolism based on metabolites found exptl. in previous works by Yamaguchi, Caldwell & Farmer, Madyastha & Srivatsan and Hiki et al. were not in agreement. This in silico approach is based on the three in vivo studies and aims to resolve the discrepancies. Reactions in the pathways are conjugation with glucuronic acid/sulfate, oxidation to alc., aldehyde & carboxylic acid, and formation of a four-membered/five-membered ring. Gas-phase structures, standard Gibbs energies and SMD solvation energies at B3LYP/6-311++G(d,p) level were obtained for 102 compounds in the pathways. This study provides a more complete picture of menthol metabolism by combining information from three exptl. studies and filling missing links in previously published pathways.
PLoS One published new progress about Free energy. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Related Products of alcohols-buliding-blocks.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts