> Alkaloids and derivatives / 6,6a-secoaporphines
|
1-[2-(Dimethylamino)ethyl]-4-methoxyphenanthren-3-OL
|
10085878 |
Click to see
CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)O
|
295.40 |
unknown |
https://doi.org/10.1021/NP50077A016 |
Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-
|
161379 |
Click to see
CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2
|
293.40 |
unknown |
https://doi.org/10.1021/NP50077A016 |
> Alkaloids and derivatives / Aporphines
|
(+)-Asimilobine
|
25774982 |
Click to see
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O
|
267.32 |
unknown |
https://doi.org/10.1021/NP50077A016 |
Asimilobine
|
160875 |
Click to see
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O
|
267.32 |
unknown |
https://doi.org/10.1021/NP50077A016 |
O-Nornuciferine
|
197017 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)O
|
281.30 |
unknown |
https://doi.org/10.1021/NP50077A016 |
> Alkaloids and derivatives / Aristolactams
|
Aristolactam AII
|
148657 |
Click to see
COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O
|
265.26 |
unknown |
https://doi.org/10.1021/NP50077A016 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
|
2-Hydroxy-4-methoxy-6-propylbenzoic acid
|
15595747 |
Click to see
CCCC1=C(C(=CC(=C1)OC)O)C(=O)O
|
210.23 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Benzenoids / Phenol ethers / Anisoles
|
Elemicin
|
10248 |
Click to see
COC1=CC(=CC(=C1OC)OC)CC=C
|
208.25 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Benzenoids / Phenols / Methoxyphenols
|
N-Trans-feruloyltramine
|
5280537 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
|
313.30 |
unknown |
https://doi.org/10.1021/NP50077A016 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
5-(Hydroxymethyl)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,16-diol
|
162920112 |
Click to see
CC12CCC3C4(CCC(C(C4CCC3(C1O)C=C2)(C)CO)O)C
|
320.50 |
unknown |
https://doi.org/10.1021/NP50077A016 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
3,7-Dimethyl-2,6-octadienoic acid
|
9989 |
Click to see
CC(=CCCC(=CC(=O)O)C)C
|
168.23 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Geranic acid
|
5275520 |
Click to see
CC(=CCCC(=CC(=O)O)C)C
|
168.23 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
92042749 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
|
26318 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Cedrelanol
|
160799 |
Click to see
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Copaene
|
19725 |
Click to see
CC1=CCC2C3C1C2(CCC3C(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
|
2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol
|
547972 |
Click to see
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Elemol
|
92138 |
Click to see
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
5316284 |
Click to see
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C
|
218.33 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
alfa-Cyperone
|
12303268 |
Click to see
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C
|
218.33 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
alpha-Eudesmol
|
92762 |
Click to see
CC1=CCCC2(C1CC(CC2)C(C)(C)O)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
beta-EUDESMOL
|
91457 |
Click to see
CC12CCCC(=C)C1CC(CC2)C(C)(C)O
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Euphol
|
441678 |
Click to see
CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids / Limonoids
|
(1S,3R,6R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
101637216 |
Click to see
CC(=CC1CC(CO1)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
101637215 |
Click to see
CC(=CC1CC(CO1)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(3R,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
101637213 |
Click to see
CC(=CC1CC(CO1)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(=O)C6(C)C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(2R,3R,5R)-3-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-(2-methylprop-1-enyl)oxolan-2-ol
|
101637210 |
Click to see
CC(=CC1CC(C(O1)O)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(4R)-4-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxolan-2-one
|
71664703 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C6CC(=O)OC6)C)C
|
400.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
3-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-5-(2-methylprop-1-enyl)oxolan-2-ol
|
162982649 |
Click to see
CC(=CC1CC(C(O1)O)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
4-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)oxolan-2-one
|
78144148 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C6CC(=O)OC6)C)C
|
400.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
7,7,12,16-Tetramethyl-15-[5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
162958723 |
Click to see
CC(=CC1CC(CO1)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
7,7,12,16-Tetramethyl-15-[5-(2-methylprop-1-enyl)oxolan-3-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
163101004 |
Click to see
CC(=CC1CC(CO1)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(=O)C6(C)C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
101637200 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C6CCC(C6O)C(C)(C)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
101637207 |
Click to see
CC(=CCCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(1S,3R,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
101637548 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1=O)C)C6CCC(C6O)C(C)(C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
101618850 |
Click to see
CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(2R,4S)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-1,4-diol
|
162985922 |
Click to see
CC(=CC(CC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)O)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-enal
|
101637206 |
Click to see
CC(=CCCC(C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(2R)-6-methyl-2-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-5-enal
|
101637205 |
Click to see
CC(=CCCC(C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(6R)-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-en-4-one
|
101637204 |
Click to see
CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
(6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-en-4-one
|
101637203 |
Click to see
CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
15-(1-Hydroxy-6-methylhept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
14486864 |
Click to see
CC(=CCCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
|
442.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
15-[2-Hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
162865433 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C6CCC(C6O)C(C)(C)O)C)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
15-[2-Hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
163000242 |
Click to see
CC1(C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1=O)C)C6CCC(C6O)C(C)(C)O)C)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
2-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-6-methylhept-5-enal
|
14486862 |
Click to see
CC(=CCCC(C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
2-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-6-methylhept-5-ene-1,4-diol
|
162985921 |
Click to see
CC(=CC(CC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)O)C
|
458.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
3-Hydroxycycloart-24-en-21-oic acid
|
14486857 |
Click to see
CC(=CCCC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
6-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-en-4-one
|
163015474 |
Click to see
CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
|
440.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
6-Methyl-2-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-5-enal
|
14486853 |
Click to see
CC(=CCCC(C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C)C
|
438.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
9,16-Cyclolanost-24-en-21-oic acid, 3-hydroxy-, (3beta)-
|
101637208 |
Click to see
CC(=CCCC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(92)80456-O |
> Organoheterocyclic compounds / Isoquinolines and derivatives / Benzylisoquinolines
|
Reticuline
|
439653 |
Click to see
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
|
329.40 |
unknown |
https://doi.org/10.1021/NP50077A016 |