QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS (QSAR) OF TRIMEDLURE ISOMERS

Trimedlure (tert-butyl 4- and 5-chloro-cis- and trans-2-methylcyclohex ane-1-carboxylate), a mixture of eight isomers, is used as an attracta nt for detecting and monitoring the male Mediterranean fruit fly. This paper reports the quantitative structure-activity relationship (QSAR) , via CHEM-X, of the eight purified isomers (racemic mixtures) of trim edlure. The relationship between structure and attractiveness is demon strated by utilizing male medfly field catch on day 0 of the individua l isomers vs. several molecular descriptors: volume, surface area, a t orsion angle, and an interatomic distance.