Terpenes: Natural Products for Controlling Insects of Importance to Human Health—A Structure-Activity Relationship Study

Table 1

Calculated molecular descriptors for terpene and phenylpropene compounds used in QSAR analysis of the fumigant activity against head lice.

Compounds	MV	PSA	BP	HBA
1,8-Cineole	167.1	9.23	177	2
Anisole	113.4	9.23	155	2
Anethole	154.4	9.23	237.5	2
Eugenol	156.2	29.46	252.5	4
Thymol	154.2	20.23	231.5	2
Linalool	179.6	19.62	199	2
Benzyl alcohol	103.2	20.23	205	2
(+)-Borneol	155.3	20.23	212.5	2
Citronellol	184.9	20.23	225	2
Menthol	175.5	20.23	216	2
Isomenthol	175.5	18.96	218.5	2
Camphor	154.8	17.59	204.5	1
Carvone	159.7	18.03	230.5	2
Geraniol	177.9	19.7	230	2
Menthone	175	17.07	209.5	2
Pulegone	164.8	17.07	221	2
Limonene	163.2	0	176	0
-Pinene	154.9	0	156	0
-Pinene	153	0	165	0
Myrcene	177	18.85	167	0
-Terpinene	161.1	18.01	182	0

The descriptors were calculated by ChemAxon and ChemSpider software.
The data on lice were obtained by Toloza [13].