alpha- and beta-Thujones (herbal medicines and food additives): synthesis and analysis of hydroxy and dehydro metabolites

J Agric Food Chem. 2001 Apr;49(4):1915-21. doi: 10.1021/jf001445+.

Abstract

Essential oils containing alpha- and beta-thujones are important herbal medicines and food additives. The thujone diastereomers are rapidly metabolized convulsants acting as noncompetitive blockers of the gamma-aminobutyric acid-gated chloride channel. Synthesis and analysis of the metabolites are essential steps in understanding their health effects. Oxidation of alpha- and beta-thujones as their 2,3-enolates with oxodiperoxymolybdenum(pyridine)(hexamethylphosphoric triamide) gave the corresponding (2R)-2-hydroxythujones assigned by (1)H and (13)C NMR and X-ray crystallography. alpha-Thujone was converted to 4-hydroxy-alpha- and -beta-thujones via the 3,4-enol acetate on oxidation with peracid and osmium tetroxide, respectively. Ozonation provided 7-hydroxy-alpha- and -beta-thujones, and by dehydration provided the 7,8-dehydro compounds. 4,10-Dehydrothujone was prepared from sabinene via sabinol. The hydroxy and dehydro derivatives are readily identified and analyzed by GC/MS as the parent compounds and trimethylsilyl and methyloxime derivatives. A separate study established that all of these compounds are metabolites of alpha- and beta-thujones.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Bicyclic Monoterpenes
  • Food Additives / analysis
  • Gas Chromatography-Mass Spectrometry / methods
  • Monoterpenes*
  • Oxidation-Reduction
  • Phytotherapy
  • Plant Extracts / analysis*
  • Plant Extracts / metabolism
  • Terpenes / analysis*
  • Terpenes / chemical synthesis
  • Terpenes / metabolism*

Substances

  • Bicyclic Monoterpenes
  • Food Additives
  • Monoterpenes
  • Plant Extracts
  • Terpenes
  • beta-thujone