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. 2018 Jun 13;9:623. doi: 10.3389/fphar.2018.00623

Table 1.

List of all the compounds identified in the GC-MS analysis of essential oil of Isodon rugosus.

S. No. Compound label RT Name Formula Hits (DB)
1 Methyl ethyl ketone 6.057 Butanone C4H8O 10
2 2-cyclohexenyl vinyl ether 6.683 Na C8H12O 10
3 Alpha.-Copaene 18.689 Alpha Copaene C15H24 10
4 BETA-bOURBONENE 19.522 BETA. BOURBONENE C15H24 10
5 8-Isopropyl-1-methyl-5-methylene-1,6-cyclodecadiene 19.605 Germacrene D C15H24 10
6 2,6-Dimethylocta-1,4,7-triene 19.643 Cis-Achillene C10H16 10
7 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl) 19.764 Na C13H22O 10
8 Bicyclo[3,3,1]non-2-ene, 7-oxa-2,8,9-trimethyl-5-acetoxymethyl 19.866 Na C14H22O3 10
9 1,4-Dimethylpent-2-enyl)benzene 19.976 Na C13H18 10
10 Beta.-Caryophyllen 20.312 Caryophyllene C15H24 10
11 1,1,7-TRIMETHYL-4-METHYLENEDECAHYDRO-1H-CYCLOPROPA[E]AZULENE 20.584 AROMADENDRENE C15H24 10
12 Alpha.-Cubebene 20.851 Alpha Cubebene C15H24 10
13 CADINA-1,4-DIENE 20.937 Na C15H24 10
14 3,8-Dimethylundecane 20.98 Na C13H28 10
15 Cycloisolongifolene, 8,9-dehydro- 21.184 Na C15H22 10
16 Epi-bicyclosesquiphellandrene 21.227 Na C15H24 10
17 Alpha.-Amorphene 21.477 Alpha Amorphene C15H24 10
18 Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl 21.549 Ar-Curcumene C15H22 10
19 Cis-(-)-2,4a,5,6,9a-Hexahydro-3,5,5,9-tetramethyl(1H)benzocycloheptene 21.626 Na C15H24 10
20 7-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole 21.788 Na C12H14N2O 6
21 Cadina-4,9-diene 21.977 Alpha.-Muurolene C15H24 10
22 1-Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene 22.452 Germacrene D-4-ol C15H26O 10
23 Calamenene 22.479 Calamenene C15H22 10
24 9-Methyl-S-octahydrophenanathracene 22.603 Na C15H20 10
25 2,5,9,9-Tetramethyl-6,7,8,9-tetrrahydro-5H-benzocycloheptane 22.775 Na C15H22 10
26 5H-Inden-5-one, 1,2,3,3a,4,7a-hexahydro-7a-methyl-, trans- 22.823 Na C10H14O 10
27 1,1,6-trimethyl-1,2-dihydro naphthalene 22.917 CALACORENE C13H16 10
28 3-Heptadecen-5-yne 23.126 Na C17H30 10
29 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl 23.471 Trans-Nerolidol C15H26O 10
30 6-Pentadecen-9-yne 23.885 Na C15H26 10
31 Verbenene 23.923 Verbenene C10H14 10
32 N-Butyl-3-hydroxybutyramide 24.061 Na C8H17NO2 3
33 N-(1-Methylethyl)-2-(1-methylethyl)benzamide 24.073 Na C13H19NO 10
34 Clov-2-ene-9.alpha.-ol 24.145 Na C15H24O 10
35 VIRIDIFLOROL 24.221 Veridiflorol C15H26O 10
36 Ledol 24.319 Ledol C15H26O 10
37 1H-Inden-1-one, octahydro-, cis 24.462 Hydrindan C9H14O 10
38 3-(Hydroxymethyl)-4-hydroxy-5,6,7,8-tetrahydroquinoline 24.531 Na C10H13NO2 3
39 1,2-Naphthalenedione, 3,8-dimethyl-5-(1-methylethyl) 24.561 Mansonone C C15H16O2 10
40 Humulane-1,6-dien-3-ol 24.618 Na C15H26O 10
41 Cedr-8-ene 24.696 Alfa-cedrene C15H24 10
42 Longifolenaldehyde 24.781 Longifolenaldehyde C15H24O 10
43 2,3-Bis[(adamantylcarbonyl)ethynyl]bicyclo[2.2.1]hepta-2,5-diene 24.993 Na C33H36O2 10
44 1,2-Diacetyl-4-methylbenzene 25.134 Na C11H12O2 10
45 1.beta.,10.beta.H-Cadin-4-en-10-ol 25.392 T-Muurolol C15H26O 3
46 4,4-Dimethylpentanenitrile 25.406 Na C7H13N 1
47 Cadin-4-en-10-ol 25.57 Alpha.-Cadinol C15H26O 10
48 5,7-Dimethylquinoline 25.583 Na C11H11N 10
49 Azulene, 1,4-dimethyl-7-(1-methylethyl) 25.686 Azunol C15H18 10
50 1,4-Methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro- 25.864 Na C15H22 5
51 4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone 26.157 Na C11H16O 10
52 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one 26.262 Na C15H24O 10
53 6-Methylenebicyclo[2.2.1]hept2-en-1-ol 26.348 Na C8H10O 1
54 MUUROLA-4,10(14)-DIEN-3-ONE 26.374 Na C15H22O 10
55 Pentalene, octahydro-1-(2-octyldecyl) 26.513 Na C26H50 10
56 1.beta.,4.beta.H,10.beta.H-Guaia-5,11-diene 26.627 Gamma.-Gurjunene C15H24 10
57 Phosphorochloridic acid, diethyl ester 26.788 Diethyl chlorophosphate C4H10ClO3 10
58 Isoisopulegyl acetate 26.902 Isoisopulegyl acetate C12H20O2 10
59 1,3-dimethyl-3-acetoxymethyl-2-oxabicyclo[2.2.2]octan-5-one 27.314 Na C12H18O4 10
60 Benzyl benzoate 27.873 Benzyl benzoate C14H12O2 10
61 Ttrans-1-(3′′-Cyclopropylidenepropen-1′′-yl)-1-(propen-3′-yl)cyclopropane 28.23 Na C12H16 5
62 Ethyl 3-phenylhexa-2,4-dienoate 29.066 Na C14H16O2 4
63 1-(6′-Methoxy-7′-methyl-1′,2′,3′,4′-tetrahydronaphthalen-1′-yl)ethanol 29.312 Na C14H20O2 2
64 6-(p-Tolyl)-2-methyl-2-heptenol 29.584 Nuciferol C15H22O 10
65 2-Butanol, 4-[2,2,6-trimethylcyclohexyl]-, acetate 30.058 Tetrahydroionyl acetate C15H28O2 10
66 1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl 30.327 Patchoulane C15H26 10
67 Trans-Pinocarvyl acetate 30.688 Na C12H18O2 3
68 [1-(R,S),5(R,S)]-3-(2,2-dimethyl-1-(R,S/S,R)-hydroxypropyl)-6-(R,S)-n-octyl-… 31.48 Na C18H32O3 4
69 3-Angelate of felikiol 31.704 Na C20H32O4 1
70 2-thia-6-methyl-7-(2-formylethyl)bicyclo[3.2.0]hept-6-ene-2,2-dioxide 31.795 Na C10H14O3S 3
71 Aphanamol 32.079 Aphanamol C15H24O2 10
72 5,9-Undecadien-2-one, 6,10-dimethyl 32.317 Geranylacetone C13H22O 10
73 4-Chlorobutyric acid, octadecyl ester 32.639 Na C22H43ClO2 10
74 Bicyclo[5.2.0]nonane, 4-methylene-2,8,8-trimethyl-2-vinyl- 32.976 Na C15H24 10
75 2,9-Dimethyl-8-oxatetracyclo[5.4.1.1(3,10).0(5,9)]tridecane-2-endo,7-diol 33.499 Na C14H22O3 10
76 1-(4-Hydroxy-3-isopropenyl-4,7,7-trimethyl-cyclohept-1-enyl)-ethanone 33.918 Na C15H24O2 7
77 1,2-pentanediol, 5-(6-bromodecahydro-2-hydroxy-2,5,5a,8a-tetramethyl-1-napht… 34.228 Na C20H35BrO3 1
78 1-Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene 35.087 Na C15H26O 1
79 Viridiflorene 35.376 Viridiflorene C15H24 8
80 Dodecylpalmitate 35.978 Dodecylpalmitate C28H56O2 10
81 Sec-Butyl 2,3,4,6-tetra-methyl-.beta.,D-galactopyranoside isomer 36.292 Na C14H28O6 2
82 1,3-EPIMANOYL OXIDE 36.366 Epimanoyl oxide C20H34O 8
83 Pentadecane 36.435 Pentadecane C15H32 10
84 Cyclodecane, octyl 36.599 Octylcyclodecane C18H36 5
85 Labd-14-ene, 8,13-epoxy-, (13R)- 37.211 Na C20H34O 10
86 5.alpha.-allyl-6.alpha.-hydroxy-5.beta.,9.beta.-dimethyl-trans-decalin-1-one 37.726 Na C15H24O2 3
87 Naphthalene, 7-butyl-1-hexyl 38.181 Na C20H28 10
88 1,1,7,12-tetramethyl-8-ethyl-1,2,3,4,9,10,11,12-octahydrophenanthrene 38.718 Na C20H30 10
89 Benzamidine, 4-(4-pentylphenyl)- 39.442 Na C18H22N2 1
90 3-Eicosene 39.652 Na C20H40 10
91 Eicosane 40.011 Eicosane C20H42 10
92 Sulfurous acid, hexyl nonyl ester 40.208 Na C15H32O3S 10
93 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl) 40.372 Na C10H18O 10
94 1-Acetyl-2-amino-3-cyano-7-isopropyl-4-methylazulene 40.546 Na C17H18N2O 1
95 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl 40.682 Phytol C20H40O 10
96 1,1,8,9A-tetramethyl-2,3,5,6,7,9a-hexahydro-1h-benzo[a]cycloheptene 40.915 Na C15H24 10
97 2-n-Heptylcyclopentanone 41.419 Na C12H22O 10
98 7,11,15-TRIMETHYL,3-METHYLENE-1-HEXADECENE 41.645 Neophytadiene C20H38 10
99 Stearic acid 42.294 Stearic acid C18H36O2 10
100 Abietyl alcohol, dehydro 42.844 Abietyl alcohol, dehydro C20H30O 2
101 Oxalic acid, hexadecyl propyl ester 43.093 Na C21H40O4 7
102 1,4a.beta.-Dimethyl-7-isopropyl-2,3,4,4a,9,10-hexahydrophenanthrene 43.238 Na C19H26 10
103 5-Diazo-1-(2′-methyl-4′-nitrophenylazo)-1,3-cyclopentadiene 43.79 Na C12H9N5O2 10
104 (1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1 44.228 Na C17H13NO 10
105 2-Methyl-5,6-diphenyl-1,2,4-triazin-3(2H)-one 44.27 Na C16H13N3O 1
106 Dehydroabietal 44.302 Dehydroabietal C20H28O 3
107 8-Methoxy-4-methylbenzo[g]quinoline-5,10-dione 44.617 Na C15H11NO3 10
108 Phenol, 4-methoxy-2-[5-(4-methylphenyl)-3-pyrazolyl)- 45.092 Na C17H16N2O2 10
109 Pentatriacontane 45.127 Pentatriacontane C35H72 10
110 Tetracyclo[16.1.0.0(2,9).0(10,17)]nonadeca-2(9),10(17)-diene, 19,19-dimethyl- 45.232 Na C21H32 10
111 1,2-Dihydro-1-methyl-2-trifluoroacetylmethylenequinoline 45.506 Na C13H10F3NO 10
112 Simvastatin 45.671 Simvastatin C25H38O5 3
113 Methyl-9-anthracenemethanamine 45.764 Na C16H15N 7
114 4,8,12,16-Tetramethylheptadecan-4-olide 46.318 Na C21H40O2 2
115 2-Ethyl-3-phenyl-2-butene-1-al 47.678 Na C12H14O 2
116 Hinokione methyl ether 47.827 Hinokione methyl ether C21H30O2 10
117 8-Isopropyl-1,3-dimethylphenanthrene 47.873 Na C19H20 1
118 Cyclohexanone, 2-butyl 48.334 Na C10H18O 10
119 17-Methoxy-d-homo-18-norandrosta-4,8,13,15,17-pentaen-3-one 48.756 Na C20H22O2 10
120 5,8,11,14-Eicosatetraynoic acid, methyl ester 48.899 Na C21H26O2 4
121 MARGOCIN 48.964 MARGOCIN C20H26O2 1
122 Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4-tetrahydro-4,4,8-trimethyl- 49.337 Na C19H18O3 10
123 1,4-Bis(2-chloro-1,1-dimethylethyl)benzene 49.547 Na C14H20Cl2 2
124 Phenol, 4-methoxy-2-[5-(4-methylphenyl)-3-pyrazolyl)- 49.67 Na C17H16N2O2 10
125 6-Hydroxy-2,2,5,7,8-pentamethyl-4-phenyl-2H-1-benzopyran 50.552 Na C20H22O2 10
126 Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4-tetrahydro-4,4,8-trimethyl- 51.077 Na C19H18O3 10
127 2-Phosphabicyclo[3.1.0]hex-3-ene, 2,6,6-trimethyl-3,4-diphenyl- 51.481 Na C20H21P 5
128 2,3-(anti)-Epoxy-1,4-dimethyl-1,4,6,13-tetrahydrobenzo[g]pyridazino[1,2-b] 51.743 Na C18H16N2O3 1
129 Benzenamine, N,N-diethyl-4-[2-(4-nitrophenyl)ethenyl]- 52.901 Na C18H20N2O2 10
130 2,6-Bis(1,1-dimethylethyl)-4-phenylmethylenecyclohexa-2,5-dien-1-one 53.235 Na C21H26O 9
131 2H-Pyrazole, 3-amino-5-methyl-2-(4-nitrophenyl)-4-phenyl- 53.378 Na C16H14N4O2 10
132 1-(2-Isopropyl-phenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indazol-4-one 53.687 Na C19H24N2O 10
133 3-(N,N-Diethylamino)-5-iodoaniline 54.347 Na C10H15IN2 10
134 17-Methoxy-d-homo-18-norandrosta-4,8,13,15,17-pentaen-3-one 54.378 Na C20H22O2 1
135 Heneicosane, 11-(1-ethylpropyl) 56.17 Na C26H54 3
136 2-nitro-5a,6,6-trimethyl-5a,6-dihydro-12h-indolo[2,1-b][1,3]benzoxazine 56.338 Na C18H18N2O3 10
137 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- 57.279 Cannabinol C21H26O2 10
138 Sulfurous acid, pentadecyl 2-propyl ester 57.372 Na C18H38O3S 10
139 Hexadecane, 2,6,10,14-tetramethyl 57.927 Na C20H42 10
140 Triacontane 59.093 Triacontane C30H62 10
141 P-Methyl-o-(phenylethynyl)phenol 81.661 Na C15H12O 3