ISHS Acta Horticulturae 306: International Symposium on Medicinal and Aromatic Plants, XXIII IHC
STUDIES ON, AND THREE DIMENSIONAL CORRELATIONS IN SOME BIOLOGICALLY ACTIVE ESSENTIAL OILS OF TANACETUM VULGARE CLONES |
| Authors: | É. Héthelyi, P. Tétényi, A. Neszmélyi |
| Abstract:
34 essential oils and their genetical fixations have been determined during the taxonomical study of the Tanacetum vulgare L. since 1969. The chemo-therapeutic investigation of the essential oils revealed that the monoterpene oils with ketone functional groups exert a 100 % inhibitory effect on the growth of microorganisms. The essential oil components and their structures were determined with GC/MS mass spectrometry and high resolution 1H-NMR ad 13C-NMR methods. The structural correlations of the minimum energy conformation states - and especially the orientation of the ketone group - were studies with computer-aided molecular modeling. The essential oil characteristics of 10 T.vulgare species having different chemical structures were determined. Seven samples were found with ketone principal components. These were acyclic, (artemisia ketone), cyclic, and bicyclic monoterpenoids and sesquiterpene ketone (davanone). The molecular modeling of the artemisia ketone and davanone molecules was performed with program CAOS and characteristic spatial differences for acyclic and sesquiterpene ketones were found. | |
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