GC-MS Profile, Antioxidant Activity, and In Silico Study of the Essential Oil from Schinus molle L. Leaves in the Presence of Mosquito Juvenile Hormone-Binding Protein (mJHBP) from Aedes aegypti

Table 1

Chemical composition of the volatile oil of Schinus molle leaves.

Compound name	Rt (min)	Molecular formula/molecular mass	%	LRI ^Exp	LRI ^Ref	Chemical structure	Chemical group
Tricyclene	13.13	C10H16 (136.23)	0.49	926	926		Monoterpene hydrocarbon
Alpha-pinene	13.65	C10H16 (136.23)	5.27	930	932		Monoterpene hydrocarbon
Camphene	14.58	C10H16 (136.23)	2.50	938	946		Monoterpene hydrocarbon
Sabinene	15.72	C10H16 (136.23)	0.40	973	974		Monoterpene hydrocarbon
Beta-pinene	16.10	C10H16 (136.23)	1.11	976	975		Monoterpene hydrocarbon
Beta-myrcene	16.51	C10H16 (136.23)	5.94	988	988		Monoterpene hydrocarbon
Alpha-phellandrene	17.80	C10H16 (136.23)	32.68	1006	1006		Monoterpene hydrocarbon
Alpha-terpinene	18.31	C10H16 (136.23)	0.26	1019	1020		Monoterpene hydrocarbon
o-Cymene	18.82	C10H14 (136.22)	5.58	1022	1022		Aromatic monoterpene hydrocarbon
D-Limonene	19.16	C10H16 (136.23)	12.59	1027	1024		Monoterpene hydrocarbon
Beta-phellandrene	19.32	C10H16 (136.23)	12.24	1029	1025		Monoterpene hydrocarbon
Terpinolene	22.65	C10H16 (136.23)	0.21	1082	1086		Monoterpene hydrocarbon
Bornyl acetate	36.12	C12H20O2 (196.29)	0.20	1277	1284		Oxygenated monoterpene
Gamma-elemene	39.20	C15H24 (204.35)	0.68	1650	1651		Sesquiterpene hydrocarbon
Beta-elemene	42.71	C15H24 (204.35)	0.72	1382	1389		Sesquiterpene hydrocarbon
Beta-gurjunene	43.83	C15H24 (204.35)	0.30	1402	1409		Sesquiterpene hydrocarbon
Beta-caryophyllene	44.60	C15H24 (204.35)	0.30	1416	1417		Sesquiterpene hydrocarbon
Elixene	44.99	C15H24 (204.35)	0.26	1441	1445		Sesquiterpene hydrocarbon
Humulene	46.62	C15H24 (204.35)	0.39	1450	1452		Sesquiterpene hydrocarbon
Gamma-muurolene	47.58	C15H24 (204.35)	0.21	1452	1451		Sesquiterpene hydrocarbon
Germacrene D	47.99	C15H24 (204.35)	0.38	1471	1480		Sesquiterpene hydrocarbon
Bicyclogermacrene	48.77	C15H24 (204.35)	1.30	1492	1500		Sesquiterpene hydrocarbon
Alpha-muurolene	48.83	C15H24 (204.35)	0.60	1509	1510		Sesquiterpene hydrocarbon
γ-Cadinene	49.66	C15H24 (204.35)	0.62	1514	1513		Sesquiterpene hydrocarbon
Beta-cadinene	49.87	C15H24 (204.35)	2.95	1515	1522		Sesquiterpene hydrocarbon
Shyobunol	50.03	C15H26O (222.37)	1.11	1541	1542		Oxygenated sesquiterpene
Unknown I	50.27	C15H26O (222.37)	0.67	1600		n.d.	Oxygenated sesquiterpene
Elemol	51.48	C15H26O (222.37)	4.53	1610	1610		Oxygenated sesquiterpene
Unknown II	52.97	C15H26O (222.37)	1.13	1623		n.d.	Oxygenated sesquiterpene
Viridiflorol	53.91	C15H26O (222.37)	0.31	1625	1627		Oxygenated sesquiterpene
Gamma-eudesmol	55.59	C15H26O (222.37)	1.22	1636	1630		Oxygenated sesquiterpene
τ-Cadinol	55.93	C15H26O (222.37)	0.61	1648	1652		Oxygenated sesquiterpene
τ-Muurolol	55.99	C15H26O (222.37)	1.71	1641	1643		Oxygenated sesquiterpene
Delta-cadinol	56.08	C15H26O (222.37)	0.23	1655	1656		Oxygenated sesquiterpene
Aromatic monoterpene hydrocarbons			5.58%
Monoterpene hydrocarbons			73.69%
Oxygenated monoterpenes			0.20%
Sesquiterpene hydrocarbons			8.71%
Oxygenated sesquiterpenes			11.52%
Total identified			99.7%

Rt: retention time; n.d.: not determined; LRI ^Ref: linear retention index obtained from the literature [25]; LRI ^Exp: linear retention index calculated against n-alkanes C9–C24. ^aMean of three determinations.