14.  Activity Evaluation of Some Sandalwood Odorants Using the Mtd Method and Molecular Geometry

Authors: D.I. Hadaruga, N.G. Hadaruga, S. Muresan


Abstract:

This paper presents a QSAR study for 15 sandalwood odour compounds with rigid structure having qualitatively defined odour. An equation obtained by classic MLR procedure resulted for δ (the presence of the osmophoric group in the extreme axial position of the decaline rest) and D (the distance between the osmophoric group and the hydrophobic moiety of the molecule) as structural parameters, give a good correlation coefficient (r = 0.934); another equation using δ, D and MTD as structural parameters show a very good correlation coefficient (r = 0.984). A hypothetical model for the sandalwood odour receptor site with Dopt = 3.5 is proposed.


Keywords: QSAR, odorants, sandalwood odor, steric descriptors, minimal topological difference-MTD

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