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

Table 4

Calculated molecular descriptors for aldehyde and ketone compounds used in QSAR analysis of the insecticidal activity against cockroach.

Compounds	MV	Parachor	RI	ST	ASA	ASA+	ASA−	Vp	BP
Pulegone	164.8	384.2	1.47	29.5	347	249.8	97.2	0.09	224
Camphor	154.8	367.1	1.49	31.5	277.6	212	65.6	0.23	207.4
Verbenone	151.4	352.7	1.49	29.4	293.7	210.5	83.3	0.08	227.5
-Thujone	150.8	366.8	1.5	34.9	318	236.3	81.7	0.32	200.5
1,8-Cineole	167.1	399.1	1.46	32.4	307.7	242.4	65.3	1.65	174
Perillaldehyde	149.8	377.1	1.54	40.1	317.1	237.2	79.9	0.04	238
Cinnamaldehyde	127.7	319.1	1.58	38.9	299.2	210.3	88.9	0.03	246.8
Menthone	175	400	1.44	27.2	346.6	262.6	84.1	0.26	205
Carvone	159.7	373.3	1.48	29.8	302.7	233.3	69.3	0.07	230.5
Citronellal	184.7	419.6	1.44	26.6	401.5	282.3	119.1	0.21	208.4

The descriptors were calculated by ChemAxon and ChemSpider software.
The data on cockroach species were obtained by Jang et al. [42].