Monoterpenoids are naturally occurring plant compounds that have been shown to have toxicity to insects. Quantitative structure-activity relationships (QSAR)s were developed for monoterpenoids and their derivatives. Monoterpenoid phenols and alcohols (thymol, carvacrol, carveol, and geraniol) and their ester derivatives were examined to determine the structural features of the molecules that are essential for their toxicity to house flies. Using a variety of classical and quantum parameters, we found that electronic properties within each monoterpenoid group showed a high correlation with house fly toxicity.
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