CONFORMATIONAL PARAMETERS OF THE SANDALWOOD-ODOR ACTIVITY .10. CONFORMATIONAL CALCULATIONS ON SANDALWOOD ODOR

The conformational parameters responsible for sandalwood odor were inv estigated by the 'active-analog approach'. The pharmacophoric (osmopho ric) pattern of sandalwood-odor molecules can be outlined as three poi nts: the OH group (point P1), a lipophilic group (point P2) 2.9-3.0 An gstrom distant from the OH group, and a bulky rigid group (point P3), represented as a dummy atom in the middle of the alicyclic system (nor bornane bicycle or cyclopentene ring) or a quaternary C-atom. This con cept was tested on a series of representative sandalwood-odor compound s and on some structurally similar, but odorless substances.