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

被引：30
|
作者：
BUCHBAUER, G [1 ]
HILLISCH, A [1 ]
MRAZ, K [1 ]
WOLSCHANN, P [1 ]
机构：
[1] UNIV VIENNA,INST THEORET CHEM & STRAHLENCHEM,A-1090 VIENNA,AUSTRIA
来源：
HELVETICA CHIMICA ACTA | 1994年 / 77卷 / 08期
关键词：
D O I：
10.1002/hlca.19940770816
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The conformational parameters responsible for sandalwood odor were investigated by the 'active-analog approach'. The pharmacophoric (osmophoric) pattern of sandalwood-odor molecules can be outlined as three points: the OH group (point P1), a lipophilic group (point P2) 2.9-3.0 Angstrom distant from the OH group, and a bulky rigid group (point P3), represented as a dummy atom in the middle of the alicyclic system (norbornane bicycle or cyclopentene ring) or a quaternary C-atom. This concept was tested on a series of representative sandalwood-odor compounds and on some structurally similar, but odorless substances.
引用
收藏
页码：2286 / 2296
页数：11
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