|
Menu

Chemical Molecules

  • Home
  • Chemical Molecules

Results

S. No. GRMAP ID Compound Name Synonym Name Chemical Class IUPAC Name CAS ID Moleculer Formula Moleculer Weight Log P H-Bond Donor H-Bond Acceptor Rotatable Bond TPSA (Topological) Lipinski`s Rule of 5 Violation Affiliation/Institute Name Plants Crude Drugs Action
1 MOL1 Andrographolide Andrographolide, 5508-58-7, CHEBI:65408, HMPL004, UNII-410105JHGR Diterpenes (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one 5508-58-7 C20H30O5 350.4 g/mol 1.580 3 5 3 87 Ų 0 CSIR-CIMAP 2
  1. Aerial Part
View
2 MOL3 Neoandrographolide Neoandrographolide, 27215-14-1, Neoandrographiside, (-)-neoandrographolide, and XBY0Z806J2 Diterpenes 4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one 27215-14-1 C26H40O8 480.6 g/mol 2.271 4 8 7 132.75 Ų 1 CSIR-CIMAP 2
  1. Aerial Part
View
3 MOL4 Rutin 153-18-4, rutoside, Phytomelin, and Birutan Flavonoids 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 153-18-4 C27H30O16 610.5 g/mol -0.763 10 16 6 266 Ų Rejected CSIR-CIMAP 1
  1. Aerial Part
View
4 MOL5 Purpurin 81-54-9, Verantin, 1,2,4-Trihydroxyanthraquinone, and Hydroxylizaric acid Anthraquinones 1,2,4-trihydroxyanthracene-9,10-dione 81-54-9 C14H8O5 256.21 g/mol 2.726 3 5 0 91.67 Ų Accepted CSIR-CIMAP 1
  1. Aerial Part
View
5 MOL6 Quercetin 117-39-5, Sophoretin, Meletin, Quercetine 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one 117-39-5 C15H10O7
  1. Aerial Part
View
6 MOL7 Phyllocladene 20070-61-5, phyllocladene, (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane, CHEMBL454740 diterpenoids (1R,4R,9R,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane C20H32 272.5 g/mol 6.226 0 0 0 0 Accepted CSIR-CIMAP View
7 MOL8 caryophelline oxide (-)-Caryophyllene oxide, 1139-30-6, beta-Caryophyllene oxide, and beta-Caryophyllene epoxide sesquiterpenoid (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane 1139-30-6 C15H24O 220.35 g/mol 4.474 1 0 0 12.53 Ų Accepted CSIR-CIMAP View
8 MOL9 androsta-4,16-dien-3-one Androstadienone, 4,16-Androstadien-3-one, 4075-07-4, ZUZ4FHD36E Steroids (8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one 7/4/4075 C19H26O 270.4 g/mol 4.421 0 1 0 17.07 Ų Accepted CSIR-CIMAP View
9 MOL10 δ-cadinine 483-76-1, DELTA-CADINENE, D-Cadinene, (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene sesquiterpenes (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene 483-76-1 " C15H24" 204.35 g/mol 5.51 0 0 1 0 Accepted CSIR-CIMAP View
10 MOL11 5-octen-2-one (Z)-oct-5-en-2-one, (Z)-5-octen-2-one, (5Z)-5-Octen-2-one ketones (Z)-oct-5-en-2-one 22610-86-2 C8H14O 126.20 g/mol 1.993 0 1 4 17.07 Ų Accepted CSIR-CIMAP View
11 MOL12 solavetivone Katahdinone, (-)-Solavetivone, 54878-25-0, HS8O8A7REZ sesquiterpenoid (3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one 54878-25-0 218.33 g/mol 3.513 0 1 1 17.07 Ų Accepted CSIR-CIMAP View
12 MOL13 Androsta-3,5-diene-7,17-dione 1420-49-1, Androst-3,5-diene-7,17-dione, 77P0LYX19T, (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione 1420-49-1 284.4 g/mol 2.54 0 2 0 34.1 Ų Accepted CSIR-CIMAP View
13 MOL14 Androsta-3,5-diene-7,17-dione 1420-49-1, Androst-3,5-diene-7,17-dione, 77P0LYX19T, (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-7,17-dione 1420-49-1 284.4 g/mol 2.54 0 2 0 34.1 Ų Accepted CSIR-CIMAP View
14 MOL15 trans-calamene (+)-trans-Calamenene, XCK5IBT7TK, Calamenene, trans-(+)-, 40772-39-2 sesquiterpenoid (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene 40772-39-2 C15H22 202.33 g/mol 5.166 0 0 1 0 Accepted CSIR-CIMAP View
15 MOL16 aromadendrene oxide II 85710-39-0 (1aR,4S,4aR,7R,7aS,7bS)-1,1,7 85710-39-0 View
16 MOL17 pimara-7,15-dien-3-one YAXFLCDQLAZOPS-UHFFFAOYSA-N, Podocarp-7-en-3-one, 13.beta.-methyl-13-vinyl- diterpenoids 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one Nil 286.5 g/mol 5.04 0 1 1 17.1 Ų Accepted View
17 MOL18 Thunbergol YAPXSYXFLHDPCK-MAUDFNNOSA-N, Q67880110, 4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol, 4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol # Diterpenes (2E,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol Nil 290.5 g/mol 6.831 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
18 MOL19 khusinol Khusinol E, CHEBI:211128, (4R)-6-oxo-4-propan-2-yl-3,4,7,8-tetrahydro-2H-naphthalene-1-carboxylic acid sesquiterpenoid (4R)-6-oxo-4-propan-2-yl-3,4,7,8-tetrahydro-2H-naphthalene-1-carboxylic acid Nil C14H18O3 234.29 g/mol 3.074 1 3 2 54.4 Ų Accepted CSIR-CIMAP 1 View
19 MOL20 β-himachalene 1461-03-6, Himachalene, beta.-Himachalene, (R)-beta-himachalene sesquiterpenoid (4aR)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene 1461-03-6 C15H24 204.35 g/mol 6.014 0 0 0 0 Accepted CSIR-CIMAP View
20 MOL21 Himachala-2,4-diene JMGZKUMTFGHNRS-UHFFFAOYSA-N, DTXSID901019233, 60909-27-5, 2,2,6,10-tetramethylbicyclo[5.4.0]undeca-1(11),9-diene sesquiterpenoid 3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene 60909-27-5 " C15H24" " 204.35 g/mol" 5.489 0 0 0 0 Accepted CSIR-CIMAP View
21 MOL22 Longiborneol decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulen-9-ol, 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol, 465-24-7 sesquiterpene 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol 222.37 g/mol 4.386 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
22 MOL23 Isolongifolene 1135-66-6, 2H-2,4a-Methanonaphthalene sesquiterpenoid 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene 1135-66-6 204.35 g/mol 5.483 0 0 0 0 Accepted View
23 MOL24 Widdrol 6892-80-4 sesquiterpenoid (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol 6892-80-4 C15H26O 222.37 g/mol 4.146 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
24 MOL25 Neoisolongifolene Neoisolongifolene, 8-bromo-, DRISYGHYCMWXSH-UHFFFAOYSA-N sesquiterpenoid 2-bromo-5,5,11,11-tetramethyltricyclo[6.2.1.01,6]undec-6-ene C15H23Br 283.25 g/mol 5.368 0 0 0 0 Accepted CSIR-CIMAP View
25 MOL26 gamma-Himachalene himachal-4,10-diene, g-Himachalene sesquiterpenoid 2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene 53111-25-4 C15H24 204.35 g/mol 6.224 0 0 0 0 CSIR-CIMAP View
26 MOL27 Isoledene 1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene, (-)-Isoledene, 95910-36-4 sesquiterpenoid 1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene C15H24 204.35 g/mol 4.716 0 0 0 0 Accepted CSIR-CIMAP View
27 MOL28 Neoclovene (-)-alpha-Neoclovene sesquiterpenoid (1R,6S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene C15H24 204.35 g/mol 4.992 0 0 0 0 Accepted CSIR-CIMAP View
28 MOL29 (-)-Epicedrol epi-Cedrol, 8-epicedrol, and Cedran-8-ol sesquiterpenoid (1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol 19903-73-2 C15H26O 222.37 g/mol 4.031 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
29 MOL30 gamma-Dodecalactone 4-Dodecanolide, 5-octyloxolan-2-one lactone 5-octyloxolan-2-one 5/7/2305 C12H22O2 198.30 g/mol 4.04 0 2 7 26.3 Ų Accepted CSIR-CIMAP View
30 MOL31 Cyperene a-Cyperene sesquiterpenoid 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene 92724-70-4 C15H24 204.35 g/mol 5.16 0 0 0 0 Accepted CSIR-CIMAP View
31 MOL32 Hinesol Agaruspirol sesquiterpenoid 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol 59331-07-6 C15H26O 222.37 g/mol 4.107 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
32 MOL33 4,5,9,10-Dihydro-isolongifolene DTXSID901020775 sesquiterpenoid 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene 156747-45-4 C15H20 200.32 g/mol 4.712 0 0 0 0 Accepted CSIR-CIMAP View
33 MOL34 E-isolongifolanone Isolongifolone sesquiterpenoid 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one 23787-90-8 C15H24O 220.35 g/mol 4.155 0 1 0 17.1 Ų Accepted CSIR-CIMAP View
34 MOL35 E-isolongifolanone Isolongifolone sesquiterpenoid 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one 23787-90-8 C15H24O 220.35 g/mol 4.155 0 1 0 17.1 Ų Accepted CSIR-CIMAP View
35 MOL36 beta-Gurjunene sesquiterpenoid (1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene C15H24 204.35 g/mol 4.884 0 0 0 0 Accepted CSIR-CIMAP View
36 MOL37 Daucol sesquiterpenoid (1S,2R,5R,7S,8S)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol C15H26O2 238.37 g/mol 3.198 1 2 1 29.5 Ų Accepted CSIR-CIMAP View
37 MOL38 beta-Dihydroagarofuran Dihydro-beta-agarofuran sesquiterpenoid (1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane 20053-66-1 C15H26O 222.37 g/mol 4.577 0 1 0 9.2 Ų Accepted CSIR-CIMAP View
38 MOL39 9,10-Dehydro-isolongifolene Isolongifolene, 9,10-dehydro- 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene 67530-11-4 C15H22 202.33 g/mol 4.949 0 0 0 0 Accepted CSIR-CIMAP View
39 MOL40 m-Cymene 1-Isopropyl-3-methylbenzene, 3-Isopropyltoluene, m-Isopropyltoluene" Monoterpenes 1-methyl-3-propan-2-ylbenzene 535-77-3 C10H14 134.22 g/mol 3.946 0 0 1 0 Accepted CSIR-CIMAP View
40 MOL41 Valeranone Yatamanson sesquiterpenoid (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one 55528-90-0 C15H26O 222.37 g/mol 3.998 0 1 1 17.1 Ų Accepted View
41 MOL42 Isoitalicene (+)-isoitalicene, (+)-iso-italicene sesquiterpenoid (1R,2R,5R,7R)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene C15H24 204.35 g/mol 4.989 0 0 0 0 Accepted CSIR-CIMAP View
42 MOL43 alpha-Longipinene Longipinene sesquiterpenoid (1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene 8/2/5989 " C15H24" 204.35 g/mol 5.652 0 0 0 0 Accepted CSIR-CIMAP View
43 MOL44 Juniper camphor 7(11)-Selinen-4.alpha.-ol, (+)-Selin-7(11)-en-4.alpha.-ol sesquiterpenoid 1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol 53840-55-4 222.37 g/mol 4.319 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
44 MOL45 Sylvestrene (+)-m-Mentha-1(6),8-diene, D-sylvestrene, (+)-Sylvestrene Monoterpenes (5R)-1-methyl-5-prop-1-en-2-ylcyclohexene 1461-27-4 " C10H16" 136.23 g/mol 4.408 0- 0 1 0 Accepted CSIR-CIMAP View
45 MOL46 Isopinocampheol (+)-Isopinocampheol, Rac-Isopinocampheol (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol 27779-29-9 154.25 g/mol 2.662 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
46 MOL47 Isopinocampheol (+)-Isopinocampheol, Rac-Isopinocampheol (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol 27779-29-9 154.25 g/mol 2.662 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
47 MOL48 Dauca-5,8-diene 3a,6-dimethyl-1-propan-2-yl-2,3,4,7-tetrahydro-1H-azulene C15H24 204.35 g/mol 5.616 0 0 1 0 Accepted CSIR-CIMAP View
48 MOL49 Eudesma-4(15),7-dien-1b-ol Eudesma-4(14),7-dien-1.beta.-ol (1R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol C15H24O 220.35 g/mol 3.804 1 1 1 20 Ų Accepted CSIR-CIMAP View
49 MOL50 Neophytadiene Diterpenes 7,11,15-trimethyl-3-methylidenehexadec-1-ene 504-96-1 C20H38 278.5 g/mol 8.007 0 0 13 0 Accepted CSIR-CIMAP View
50 MOL51 Murolan-3,9(11)-diene-10-peroxy naphthalenyl hydroperoxide 4-hydroperoxy-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene C15H24O2 236.35 g/mol 3.278 1 2 2 29.5 Ų Accepted CSIR-CIMAP View
51 MOL52 Cedren-13-ol, 8- 8-cedren-13-ol, Cedr-8-en-13-ol (2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol C15H24O 220.35 g/mol 3.695 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
52 MOL53 β-Ylangene sesquiterpenoid 1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane C15H24 204.35 g/mol 4.416 0 0 1 0 Accepted CSIR-CIMAP View
53 MOL54 Cuparene (+)-Cuparene, (R)-Cuparene, (R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene sesquiterpenoid 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene 16982-00-6 C15H22 202.33 g/mol 5.496 0 0 1 0 Accepted CSIR-CIMAP View
54 MOL55 Acorenone B (+)-Acorenone B, 1,4-cis-1,7-cis-Acorenone sesquiterpenoid (1S,4S,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one 21653-33-8 C15H24O 220.35 g/mol 3.951 0 1 1 17.1 Ų Accepted CSIR-CIMAP View
55 MOL56 gamma-elemene (-)-.gamma.-Elemene, DTXSID70954182 sesquiterpenoid 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane 3242-08-8 C15H24 204.35 g/mol 4.987 0 0 2 0 Accepted CSIR-CIMAP View
56 MOL57 5-(2-Methylpropyl)nonane 5-Isobutylnonane 5-(2-methylpropyl)nonane 62185-53-9 C13H28 184.36 g/mol 6.331 0 0 0 0 Accepted CSIR-CIMAP View
57 MOL58 (Z)-3-Heptadecene heptadec-3-ene (E)-heptadec-3-ene 68155-00-0 C17H34 238.5 g/mol 8.287 0 0 13 0 Accepted CSIR-CIMAP View
58 MOL59 Octadecyl chloride 1-Chlorooctadecane 1-chlorooctadecane 3386-33-2 C18H37Cl 288.9 g/mol 8.896 0 0 16 0 Accepted CSIR-CIMAP View
59 MOL60 vanillylacetone Zingerone Ketone 4-(4-hydroxy-3-methoxyphenyl)butan-2-one 122-48-5 C11H14O3 194.23 g/mol 0.988 1 3 4 46.5 Ų Accepted CSIR-CIMAP View
60 MOL61 2-monopalmitin 2-Palmitoylglycerol, 2-Monopalmitoylglycerol 1,3-dihydroxypropan-2-yl hexadecanoate 23470-00-0 C19H38O4 330.5 g/mol 5.275 2 4 18 66.8 Ų Accepted CSIR-CIMAP View
61 MOL62 oleamide Oleic acid amide (Z)-octadec-9-enamide 301-02-0 C18H35NO 281.5 g/mol 6.443 1 1 15 43.1 Ų Accepted CSIR-CIMAP View
62 MOL63 cholesta-3,5-dien-7-one DELTA.3,5-Cholestadien-7-one, 3,5-Cholestadien-7-one 567-72-6 382.6 g/mol 6.897 0 1 5 17.1 Ų Accepted CSIR-CIMAP View
63 MOL64 alpha-Humulene ALPHA-CARYOPHYLLENE, 6753-98-6, 3,7,10-Humulatriene Sesquiterpenes (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 6753-98-6 C15H24 204.35 g/mol 4.5 0 0 0 0 Accepted CSIR-CIMAP View
64 MOL65 7-Tetradecene trans-7-tetradecene, (E)-7-Tetradecene Alkenes (E)-tetradec-7-ene 10374-74-0 C14H28 196.37 g/mol 7.05 0 0 10 0 Accepted CSIR-CIMAP View
65 MOL66 Phytyl acetate 10236-16-5, 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate, (2E,7R,11R)-, (7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate, (E)-Phytyl acetate [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate 10236-16-5 C22H42O2 338.6 g/mol 8.311 0 2 15 26.3 Ų Accepted CSIR-CIMAP View
66 MOL67 trans-Chrysanthenyl acetate NS00093940 Monoterpenoids [(1S,5R,6R)-2,7,7-trimethyl-6-bicyclo[3.1.1]hept-2-enyl] acetate C12H18O2 194.27 g/mol 3.298 0 2 2 26.3 Ų Accepted View
67 MOL68 alpha-Elemol SCHEMBL12978363 Sesquiterpenoids 2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol 639-99-6 C15H26O 222.37 g/mol 3.807 1 1 3 20.2 Ų Accepted CSIR-CIMAP View
68 MOL69 Cubenol 10.beta.H-Cadin-4-en-1-ol sesquiterpenoid (1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol 21284-22-0 C15H26O 222.37 g/mol 4.546 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
69 MOL70 beta-Thujene 2-Thujene monoterpenoid 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene 28634-89-1 C10H16 136.23 g/mol 3.305 0 0 1 0 Accepted CSIR-CIMAP View
70 MOL71 cis-alpha-Ocimene (Z)-alpha-ocimene monoterpenes (3Z)-3,7-dimethylocta-1,3,7-triene 6874-44-8 C10H16 136.23 g/mol 4.08 0 0 4 0 Accepted CSIR-CIMAP View
71 MOL72 Eugenol acetate Acetyleugenol, Aceteugenol  phenylpropanoid  (2-methoxy-4-prop-2-enylphenyl) acetate 93-28-7 C12H14O3 206.24 g/mol 2.28 0 3 5 35.5 Ų Accepted CSIR-CIMAP View
72 MOL73 alpha-Cadinene (+)-alpha-cadinene, (-)-alpha-Cadinene sesquiterpene (1S,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene 24406-05-1 C15H24 204.35 g/mol 5.562 0 0 1 0 Accepted CSIR-CIMAP View
73 MOL74 Copaene ALPHA-COPAENE sesquiterpenes 1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene 138874-68-7 C15H24 204.35 g/mol 4.844 0 0 1 0 Accepted CSIR-CIMAP View
74 MOL75 Methyl Salicylate Methyl 2-hydroxybenzoate, Analgit Gaultheriaoel Salicylates methyl 2-hydroxybenzoate 119-36-8 C8H8O3 152.15 g/mol 2.338 1 3 2 46.5 Ų Accepted CSIR-CIMAP View
75 MOL76 alpha-Copaene Copaene Sesquiterpenes (1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene 3856-25-5 C15H24 204.35 g/mol 4.844 0 0 1 0 Accepted CSIR-CIMAP View
76 MOL77 epsilon-Cadinene CHEBI:207071 sesquiterpenoid (1S,4aR,8aS)-4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene C15H24 204.35 g/mol 4.631 0 0 1 0 Accepted CSIR-CIMAP View
77 MOL78 Zonarene Q67880159 Sesquiterpenes (1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene C15H24 204.35 g/mol 4.637 0 0 1 15 Accepted CSIR-CIMAP View
78 MOL79 (+)-Cubenene (1S,4R,4aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene, trans-Cadina-1(2),4-diene, CHEBI:61685, DTXSID10880719, C19741, Q27131287, 38758-02-0 Sesquiterpenoids (1S,4R,4aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene 38758-02-0 C15H24 204.35 g/mol 4.5 0 0 1 0 Accepted CSIR-CIMAP View
79 MOL80 alpha-Muurolene alpha-Muurolene, Muurolene, 10208-80-7, D2ZGB75M36, alpha-Muurolene, (-)- sesquiterpene  (1S,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene 10208-80-7 C15H24 204.35 g/mol 4.1 0 0 1 0 Accepted CSIR_CIMAP View
80 MOL81 endo-2-Bornanol (2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, Borneocamphor, Isoborneol, Sumatra camphor, DL-Isoborneol Bicyclic Monoterpenes (2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol 124-76-5 C10H18O 154.25 g/mol 2.7 1 1 0 20.2 Ų Accepted CSIR-CIMAP View
81 MOL82 2-Aminopyridine N-oxide 2-Aminopyridine N-oxide, 14150-95-9, 2-Pyridinamine, 1-oxide, 2-Aminopyridine 1-oxide, 1-hydroxypyridin-2-imine Aminopyridines 1-hydroxypyridin-2-imine 14150-95-9 C5H6N2O 110.11 g/mol 0 2 2 0 47.3 Ų CSIR-CIMAP View
82 MOL83 Cyclohexane 110-82-7, Hexamethylene, Hexahydrobenzene, Hexanaphthene Hydrocarbons, Alicyclic cyclohexane 110-82-7 C6H12 84.16 g/mol 3.4 0 0 0 0 Accepted CSIR-CIMAP View
83 MOL84 Isoaromadendrene epoxide Isoaromadendrene epoxide, GLKQAHXBJLGAFT-UHFFFAOYSA-N, 1,3b,6,6-Tetramethyldecahydro-1H-cyclopropa[7,8]azuleno[4,5-b]oxirene, Q67879937, 1,3b,6,6-Tetramethyldecahydro-1H-cyclopropa[7,8]azuleno[4,5-b]oxirene Sesquiterpenoids 2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane C15H24O 220.35 g/mol 3.8 0 1 0 12.5 Ų Accepted CSIR-CIMAP View
84 MOL85 Cyclopropanecarboxamide Cyclopropanecarboxamide, 6228-73-5, Cyclopropylcarboxamide, Carbamoylcyclopropane, Cyclopropyl carboxamide Hydrocarbons, Alicyclic cyclopropanecarboxamide 6228-73-5 C4H7NO 85.10 g/mol -0.4 1 1 1 43.1 Ų Accepted CSIR-CIMAP View
85 MOL86 alpha-Cadinol alpha-Cadinol, Cadin-4-en-10-ol, l-alpha-Cadinol, 481-34-5 Terpenes (1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol 481-34-5 C15H26O 222.37 g/mol 3.3 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
86 MOL87 Bicyclogermacrene Bicyclogermacrene, CHEBI:63709, (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene, LMPR0103100001, C20175 sesquiterpene (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene 24703-35-3 C15H24 204.35 g/mol 4.1 0 0 0 0 Accepted CSIR-CIMAP View
87 MOL88 beta-Selinene (+)-beta-Selinene, beta-Eudesmene, 17066-67-0 Sesquiterpenes (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene 17066-67-0 C15H24 204.35 g/mol 5.4 0 0 1 0 Accepted CSIR-CIMAP View
88 MOL89 Alpha-phellandrene 99-83-2, p-Mentha-1,5-diene, Menthadiene, 1,3-Cyclohexadiene Monoterpenes 2-methyl-5-propan-2-ylcyclohexa-1,3-diene 99-83-2 C10H16 136.23 g/mol 3.2 0 0 1 0 Accepted CSIR-CIMAP View
89 MOL90 Beta-Phellandrene 555-10-2, p-Mentha-1(7),2-diene, 3-Isopropyl-6-methylenecyclohex-1-ene, 2-p-Menthadiene Monoterpenes 3-methylidene-6-propan-2-ylcyclohexene 555-10-2 C10H16 136.23 g/mol 3.4 0 0 1 0 Accepted CSIR-CIMAP View
90 MOL91 (E)-4,8-Dimethyl-1,3,7-nonatriene 19945-61-0, (E)-4,8-Dimethyl-1,3,7-nonatriene, (3E)-4,8-dimethylnona-1,3,7-triene ,(3E)-4,8-dimethyl-1,3,7-nonatriene, 4,8-Dimethylnona-1,3,7-triene Terpenes (3E)-4,8-dimethylnona-1,3,7-triene 19945-61-0 C11H18 150.26 g/mol 4.6 0 0 4 0 Accepted CSIR-CIMAP View
91 MOL92 (Z)-p-Menth-2-en-1-ol (Z)-p-Menth-2-en-1-ol, cis-2-Menthenol, cis-p-menth-2-en-1-ol, cis-2-p-Menthen-1-ol, 2-Cyclohexen-1-ol Monoterpenoids (1S,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol C10H18O 154.25 g/mol 2.3 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
92 MOL93 cis-Piperitol cis-Piperitol, (+)-cis-Piperitol, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 16721-38-3, cis-p-Menth-1-en-3-ol monoterpenoid (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol 16721-38-3 C10H18O 154.25 g/mol 2.1 1 1 1 20.2 Ų Accepted View
93 MOL94 Neointermedeol Neointermedeol, 7-Epi-paradisiol, SCHEMBL14189191, DPQYOKVMVCQHMY-TUVASFSCSA-N, AKOS040740374 Sesquiterpenoids (1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol C15H26O 222.37 g/mol 4.5 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
94 MOL95 o-Cymene 2-Isopropyltoluene, 527-84-4, o-Cymol, 1-Isopropyl-2-methylbenzene Terpenes 1-methyl-2-propan-2-ylbenzene 527-84-4 C10H14 134.22 g/mol 3.4 0 0 1 0 Accepted CSIR-CIMAP View
95 MOL96 delta-Cadinol 9435-97-3, 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R-(1alpha,4beta,4abeta,8abeta))-, Muurolol, (1R,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol tertiary alcohol (1R,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol 19435-97-3 C15H26O 222.37 g/mol 3.3 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
96 MOL97 beta-Chamigrene Chamigrene, Chamigren, 5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene, Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene. Sesquiterpenes 5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene C15H24 204.35 g/mol 4.7 0 0 0 0 Accepted CSIR-CIMAP View
97 MOL98 alpha-Thujene 3917-48-4, RN746W3HMX, UNII-RN746W3HMX, (1R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene Isoprenoids  (1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene 3917-48-4 C10H16 136.23 g/mol 2.8 0 0 1 0 Accepted CSIR-CIMAP View
98 MOL99 trans-Piperitol (+)-trans-Piperitenol, (3R,4R)-Piperitol, p-Menth-1-en-3-ol, trans-, 16721-39-4 monoterpenoid (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol 16721-39-4 C10H18O 154.25 g/mol 2.1 1 1 1 20.2 Ų Accepted CSIR-CIMAP View
99 MOL100 delta-Cadinene "(+)-delta-Cadinene, 483-76-1, DELTA-CADINENE, (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene, D-Cadinene Sesquiterpenes (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene 483-76-1 C15H24 204.35 g/mol 3.8 0 0 1 0 Accepted CSIR-CIMAP View
100 MOL101 p-Cymen-8-ol 2-(4-methylphenyl)propan-2-ol, 1197-01-9, p-Cymen-8-ol , 8-Hydroxy-p-cymene, Dimethyl-p-tolyl carbinol Monoterpenes 2-(4-methylphenyl)propan-2-ol 1197-01-9 C10H14O 150.22 g/mol 2 1 1 1 20.2 Ų Accepted CSIR-CIMAP View