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. 2022 Sep 27;11(10):1911. doi: 10.3390/antiox11101911

Table 1.

Comparative chemical composition of essential oil of Vitex species.

S. No. Compound Name Molecular Formula R.I. % Composition
VAO VNO VTO
1 α-Thujene (MH) C10H16 930 1.4 0.2 0.1
2 α-Pinene (MH) C10H16 939 8.2 2.6 1.6
3 Sabinene (MH) C10H16 975 13.3 19.4 2.0
4 β-Pinene (MH) C10H16 979 1.2 0.4 0.3
5 Oct-1-en-3-ol C8H16O 979 - 0.5 4.0
6 Myrcene (MH) C10H16 990 3.1 0.7 0.1
7 α-Phellandrene (MH) C10H16 1002 - - 4.2
8 α-Terpinene (MH) C10H16 1017 - 2.3 -
9 β-Phellandrene (MH) C10H16 1029 - 1.0 -
10 1,8-Cineole (OM) C10H18O 1031 25.0 1.2 2.1
11 β-Ocimene (MH) C10H16 1044 1.5 - -
12 γ-Terpinene (MH) C10H16 1059 0.3 0.8 3.3
13 Linalool oxide (OM) C10H18O2 1086 - 0.4 -
14 α-Terpinolene (MH) C10H16 1088 - 1.2 -
15 p-Cymene (MH) C10H12 1091 2.2 0.6 0.2
16 Linalool (OM) C10H18O 1096 0.8 0.6 2.2
17 trans-Sabinenehydrate (OM) C10H18O 1098 0.2 0.3 -
18 Isoamyl isovalerate (Fatty Acid Ester) C10H20O2 1103 - 0.1 -
19 cis-p-menth-2-en-1-ol (OM) C10H18O 1121 0.2 0.2 0.1
20 δ-Terpineol (OM) C10H18O 1166 0.5 - -
21 Terpinen-4-ol (OM) C10H18O 1177 1.9 5.4 1.8
22 Cryptone (OM) C9H14O 1185 0.1 - -
23 α-Terpineol (OM) C10H18O 1188 2.5 1.4 0.3
24 Myrtenol (OM) C10H16O 1195 - 0.1 -
25 cis-Piperitol (OM) C10H18O 1196 - 0.1 -
26 γ-Terpineol (OM) C10H18O 1199 0.1 - -
27 trans-Piperitol (OM) C10H18O 1208 - - 0.8
28 β-Citronellol (OM) C10H20O 1225 1.4 - 0.5
29 cis-Verbenyl acetate (OM) C12H18O2 1282 1.1 - -
30 Dihydroedulan II C13H22O2 1284 0.1 0.1 0.5
31 Theaspirane A (OM) C13H22O2 1290 - 1.5 0.2
32 α-Terpinyl acetate (OM) C12H20O2 1349 5.5 - 0.5
33 β-Citronellyl acetate (OM) C12H22O2 1352 1.3 - -
34 β-Damascenone (OM) C13H18O 1384 - 0.1 -
35 β-Bourbonene (SH) C15H24 1388 - - 0.7
36 β-Elemene (SH) C15H24 1390 - - 0.8
37 β-Caryophyllene (SH) C15H24 1419 3.7 7.5 16.2
38 Methyl-isoeugenol (Phenylpropanoid) C11H14O2 1453 - - 3.1
39 α-Humulene (SH) C15H24 1454 0.2 0.4 1.4
40 β-Farnesene (SH) C15H24 1456 4.5 0.6 -
41 β-Selinene (SH) C15H24 1490 - 0.3 -
42 epi-Cubebol (OS) C15H26O 1494 - - 2.3
43 Bicyclogermacrene (SH) C15H24 1500 0.3 - -
44 α-Muurolene (SH) C15H24 1500 - - 1.5
45 γ-Cadinene (SH) C15H24 1513 - - 0.8
46 δ-Cadinene (SH) C15H24 1523 - - 0.5
47 Hedycaryol (OS) C15H26O 1548 - 0.5 -
48 β-Iraldeine (ionone) C14H22O 1557 3.8 6.4 2.0
49 Nerolidol (OS) C15H26O 1563 - - 2.2
50 Spathulenol (OS) C15H24O 1578 1.4 - -
51 β-caryophyllene oxide (OS) C15H24O 1583 1.9 1.3 4.6
52 Globulol (OS) C15H26O 1590 - 0.2 1.4
53 Viridiflorol (OS) C15H26O 1592 - 17.8 -
54 Ledol (OS) C15H26O 1602 0.4 1.0 -
55 Humulene epoxide II (OS) C15H24O 1608 - - 1.2
56 Humulane-1,6-dien-3-ol (OS) C15H26O 1619 2.4 2.3 -
57 epi-α-Cadinol (OS) C15H26O 1640 2.1 - -
58 α-Muurolol (OS) C15H26O 1646 0.1 0.2 1.7
59 β-eudesmol (OS) C15H26O 1650 0.1 1.1 -
60 Pogostol (OS) C15H26O 1653 - - 1.6
61 Drimenol (OS) C15H26O 1767 0.3 0.4 0.8
62 Flourensadiol (OS) C15H26O2 1870 0.1 - -
63 Cubitene (DT) C20H32 1878 - 1.3 -
64 Phytol (OD) C20H40O 1943 - 1.2 1.3
65 13-epi-manoyl oxide (OD) C20H34O 2002 - - 5.6
66 Manool (OD) C20H34O 2057 0.5 1.9 1.7
67 Sclareolide (OD) C16H26O2 2066 - 0.2 -
68 Sclareol (OD) C20H36O2 2223 - 1.7 1.0
69 5-(1-isopropenyl-4,5-dimethylbicyclo[4.3.0]nonan-5-yl)-3-methyl-2-pentenol acetate C22H36O2 2265 - 5.2 11.7
70 Larixol (OD) C20H34O2 2266 - 0.7 -
71 Verticiol (OD) C20H34O 2273 - - 1.4
72 16-oxo-cleroda-3,13(14)-(e)-dien-15-oic acid (OD) - - - 2.8
Monoterpene hydrocarbon (MH) 31.2 29.4 11.8
Oxygenated monoterpene (OM) 40.6 11.3 8.5
Sesquiterpene hydrocarbon (SH) 8.7 8.8 21.9
Oxygenated sesquiterpene (OS) 8.8 24.8 15.8
Diterpene hydrocarbon (DT) - 1.3 -
Oxygenated diterpene (OD) 0.5 5.7 13.8
Other than terpenoids 3.9 12.3 21.3
Total 93.7 93.6 93.1

VAO = V. agnus-castus; VNO = V. negundo; VTO = V. trifolia; RI value = Retention index value on a DB-5MS column in reference Adams, 2007 [22], or on NIST webbook [23]. MH = Monoterpene hydrocarbon; OM = Oxygenated monoterpene; SH = Sesquiterpene hydrocarbons; OS = Oxygenated sesquiterpene; DT = Diterpenene hydrocarbon; OD = Oxygenated diterpene.