|
TCMBANKIN000405 |
1,5-diethyl-2,3-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN000707 |
cis-isoascaridole |
(1S,4S)-4-methyl-1-propan-2-yl-7,8-dioxabicyclo[2.2.2]oct-2-ene; (1S,4S)-1-isopropyl-4-methyl-7,8-dioxabicyclo[2.2.2]oct-2-ene |
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN001249 |
endo-fenchol |
LMPR01020027; (1S,4R,6S)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol; (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol; 2217-02-9; CHEBI:15405; InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H; endo-alpha-fenchol; (1S,2-endo)-1,3,3-trimethylnorbornan-2-ol; ZINC01081099; (1S,2S,4R)-1,3,3-trimethylnorbornan-2-ol; BB_NC-0098; (1S,2S,4R)-1,3,3-trimethyl-2-norbornanol; 1632-73-1; C02344; (-)-endo-Fenchol |
C10H18O |
154.25 g/mol |
CC1(C2CCC(C2)(C1O)C)C |
|
TCMBANKIN001448 |
1,5,8-trimethyl-1,2-dihydronaphthalene |
1,5,8-trimethyl-1,2-dihydro-naphthalene |
|
172.29 |
|
|
TCMBANKIN003110 |
Cularicine |
DTXSID40331769; AC1L9CFH; C09398; CHEBI:3955; cularicine; 2271-08-1; 2271/8/1 |
C18H17NO4 |
311.3 g/mol |
CN1CCC2=C3C1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5 |
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN004232 |
rel-1S,2S-epoxy- 4R-furanogermacr-10(15)-en-6-one |
rel-1s,2s-epoxy-4r-furanogermacr-10(15)-en-6-one |
|
246.33 |
CC1CC2C(O2)C(=C)CC3=C(C(=CO3)C)C(=O)C1 |
|
TCMBANKIN004573 |
patchoulene |
Patchoulene |
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN004873 |
10,10-dimethyl-2,6-bis(methylene)-dicyclo[7.2.0]undecane |
(1S,9R)-10,10-dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane |
|
204.39 |
|
|
TCMBANKIN005180 |
Dibutylphenol |
2,6-ditert-butylphenol; Di-tert-butylphenol; 2,6-Bis(1,1-dimethylethyl)phenol; Phenol, 2,6-bis(1,1-dimethylethyl)-; ZINC01681254; EINECS 204-884-0; NSC49175; ST5214492; 128-39-2; Ethyl AN 701; 2,6-Di-tert-butylphenol; 2,6 Di-tert-butylphenol; D48400_ALDRICH; NSC 49175; Phenol, 2,6-di-tert-butyl-; NCGC00164272-01; Hitec 4701; Ethanox 701; AN 701; CCRIS 5828; InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H; Ethyl 701; 2,6-Bis(tert-butyl)phenol; Isonox 103; 50356-17-7; 1,3-DITERT.BUTYL,2-HYDROXY-BENZENE; 2,6-Di-t-butylphenol; AI3-26293; HSDB 5616 |
C14H22O |
206.32 |
CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O |
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005960 |
STOCK1N-53032 |
|
C18H19NO3 |
297.35 |
|
|
TCMBANKIN006041 |
diisopro-penyl methyl vinyl cyclohexane2 |
|
|
204.39 |
|
|
TCMBANKIN006201 |
elymoclavine |
|
C16H18N2O |
254.33 |
CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
|
TCMBANKIN006372 |
()-alpha-Longipinene |
(1R,2S,7R,8R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02.8]undec-9-ene; 62638_FLUKA |
|
204.39 |
|
|
TCMBANKIN006587 |
(-)-angelicoidenol-2-O-β-D-glucopyranoside_qt |
|
|
200.36 |
|
|
TCMBANKIN006808 |
()-N-Methylpseudoephedrine |
(1S,2S)-()-N-Methylpseudoephedrine; (1S,2S)-2-dimethylamino-1-phenylpropan-1-ol; 290041_ALDRICH; (1S,2S)-2-Dimethylamino-1-phenylpropanol; (1S,2S)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN006853 |
dl-Nuciferine |
Aprphine, 1,2-dimethoxy-, (+-)-; 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; (+-)-1,2-Dimethoxyaporphine; InChI=1/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H; 5868-18-8; 4H-dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-; APORPHINE, 1,2-DIMETHOXY-; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (+-)- (9CI) |
C19H21NO2 |
295.38 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
|
TCMBANKIN008612 |
(1S,2R,5S)-2,6,6-trimethylnorpinane |
(1S,2R,5S)-2,7,7-trimethylbicyclo[3.1.1]heptane |
C10H18 |
138.25 |
|
|
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
|
TCMBANKIN008660 |
cis,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
TCMBANKIN009362 |
Coronaridine |
coronaridine; coronaridine |
C21H26N2O2 |
338.44 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
|
TCMBANKIN009385 |
1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethanone |
|
|
138.23 |
|
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009686 |
a-bungarotoxin |
|
C50H70O14 |
|
CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)C=O)O)C)C)(OC6(CC5)C)C |
|
TCMBANKIN009747 |
stepharine |
AC1LH1T2; Stepharine; ZINC26787150; CHEMBL463957 |
C18H19NO3 |
297.35 |
COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
|
TCMBANKIN009856 |
.beta.-Fenchyl acetate, exo- |
[(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN010629 |
junipene |
longifolene; (+)-longifolene |
C15H24 |
204.35 |
CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN012015 |
beta-Bazzanene |
|
C15H24 |
204.35 |
CC1=CCC(CC1)(C)C2(CCCC2=C)C |
|
TCMBANKIN012731 |
1-(2-methoxypropan-2-yl)-4-methylbenzene |
1-(1-methoxy-1-methyl-ethyl)-4-methyl-benzene; 1-(2-methoxypropan-2-yl)-4-methyl-benzene; 1-(1-methoxy-1-methylethyl)-4-methylbenzene |
C11H16O |
164.24 |
CC1=CC=C(C=C1)C(C)(C)OC |
|
TCMBANKIN013416 |
2,2-Dimethylcyclopentylcyclohexane |
|
C13H24 |
180.33 |
CC1(CCCC1C2CCCCC2)C |
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN014154 |
(-)-beta-Fenchol |
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1S-exo)-; 2-Norbornanol, 1,3,3-trimethyl-, (1S,2R,4R)-(-)-; (1S,4R,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol; (1S,2R,4R)-1,3,3-trimethylnorbornan-2-ol; 470-08-6; (-)-(1S,2R,4R)-beta-Fenchol; (1S,2R,4R)-1,3,3-trimethyl-2-norbornanol; 1,3,3-Trimethyl-2-norbornanol, (1S-exo)-; ZINC04521487; 1,3,3-Trimethyl-2-norbornanol; (-)-beta-Fenchyl alcohol; beta-Fenchol, (-)- |
C10H18O |
154.25 |
CC1(C2CCC(C2)(C1O)C)C |
|
TCMBANKIN014260 |
Costaclavine |
6,8-Dimethylergoline; costaclavine; Costaclavin; (2S,4R,7R)-4,6-DIMETHYL-6,11-DIAZATETRACYCLO[7.6.1.0(2),?.0(1)(2),(1)?]HEXADECA-1(16),9,12,14-TETRAENE; AC1L4NNM; 436-41-9; Ergoline, 6,8-dimethyl-, (8beta,10beta)-; Epicostaclavin; Pyroclavin |
C16H20N2 |
240.34 g/mol |
CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C |
|
TCMBANKIN014360 |
schizonol |
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-; 35736-66-4; (5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE; CTK1B6730; SNBPZAIQWQXUCR-SSDOTTSWSA-N; (5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one; Schizonol; DTXSID80453772; (-)-1R-8-Hydroxy-p-menth-4-en-3-one; 2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one # |
C10H16O2 |
168.23 g/mol |
CC1CC=C(C(=O)C1)C(C)(C)O |
|
TCMBANKIN015357 |
turmeronol A |
turmeronol a |
C15H20O2 |
232.32 |
CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O |
|
TCMBANKIN015423 |
Allopseudococain |
Allo-psi-cocaine; methyl (1R,2S,3R,5S)-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate; methyl (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; (1R,2S,3R,5S)-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 518-97-8; InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H; 1alphaH,5alphaH-Tropane-2alpha-carboxylic acid, 3alpha-hydroxy-, methyl ester, benzoate (ester) (8CI); Pseudoallococaine; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)- (9CI); (R)-Allopseudococaine; methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)-; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester; Allopseudococaine (6CI); (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(endo,endo)]- |
C17H21NO4 |
303.35 |
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN016355 |
()-Sativene |
84590_FLUKA |
C15H24 |
204.35 |
|
|
TCMBANKIN016599 |
Wilsonine |
wilsonine |
C20H25NO4 |
343.4 g/mol |
COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC |
|
TCMBANKIN017488 |
trans-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN017770 |
1,5-dimethyl-6-methylethenylspiro[2.4]heptane |
|
|
164.32 |
|
|
TCMBANKIN018400 |
1ycorenium A |
|
C18H38I2N2O4 |
|
C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
|
TCMBANKIN019203 |
trans-Verbenol |
EINECS 217-335-5; 1820-09-3; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-; (1alpha,2alpha,5alpha)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; EINECS 243-407-0; (1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-; 18881-04-4; InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H; (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; AI3-23135; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-; 1S-cis-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-; ZINC01081109; 19890-02-9 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN019802 |
LYSERGOL |
SMR000386913; lysergol; BSPBio_000528; SMP1_000185; Prestwick1_000454; NINDS_000515; MEGxp0_001732; KBio1_000515; ACon1_000057; DivK1c_000515; 1413-67-8; NCGC00016520-01; MLS001049075; CAS-602-85-7; ACon0_000797; CHEMBL1331189; IDI1_000515; (5alpha)-9,10-Didehydro-6-methylergoline-8beta-methanol; SPBio_002467; AIDS-196437; (7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-9-yl)-methanol; NCGC00017367-01; Phytochem 12: 2435 (1973); Prestwick0_000454; TNP00316; ZINC3873179; AIDS196437; Prestwick_308; Prestwick2_000454; Prestwick3_000454; BPBio1_000582 |
C16H18N2O |
254.33 |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)CO |
|
TCMBANKIN019815 |
beta-Gurjunene |
(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene; 73464-47-8; beta-gurjunene; 1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-; β-gurjunene |
C15H24 |
204.35 |
CC1CCC2C(C2(C)C)C3C1CCC3=C |
|
TCMBANKIN019913 |
dl-3n-butylphthalide |
(3R)-3-butyl-3H-isobenzofuran-1-one; (3R)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN019917 |
1H-benzocycloheptene,2,4a,5,6,7,8,9,9a-octahydro-3,3,5-trimethyl-9-methylene-,(4aS-cis)- |
|
|
205.4 |
|
|
TCMBANKIN020148 |
C-Homoerythrinan, 1,6-didehydro-3,15,16-trimethoxy-, (3.beta.)- |
NSC166069; B602425K094; 51095-85-3 |
C20H27NO3 |
329.43 |
COC1CC=C2CCN3C2(C1)C4=CC(=C(C=C4CCC3)OC)OC |
|
TCMBANKIN020824 |
1,2-diethyl-3-methylcyclohexylamine |
|
|
169.35 |
|
|
TCMBANKIN020933 |
Physovenine |
physovenine; H67Q5553UW; CHEMBL205231; (-)-Physovenine; (3aS)-3aalpha,8-Dimethyl-5-(methylcarbamoyloxy)-3,3a,8,8aalpha-tetrahydro-2H-furo[2,3-b]indole; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] ester; C09232; AC1L9C9Q; SCHEMBL1666015; 2H-Furo(2,3-b)indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aS-cis)-; (3AS,8AS)-3A,8-DIMETHYL-2H,3H,8AH-FURO[2,3-B]INDOL-5-YL N-METHYLCARBAMATE; [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate; CHEBI:8188; UNII-H67Q5553UW; 6091-05-0 |
C14H18N2O3 |
262.3 |
CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C |
|
TCMBANKIN021165 |
(1R,2R)-2-dimethylamino-1-phenylpropan-1-ol |
(1R,2R)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN021672 |
apoatropine |
1.alpha.H, atropate (ester), hydrobromide; Apoatropine, hydrobromide; 6020-16-2; DTXSID70635222; NSC-41796; 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate--hydrogen bromide (1/1); Benzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide, endo-; NSC41796; Atropamine |
C17H21NO2 |
271.35 |
CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
|
TCMBANKIN022126 |
(S)-p-Mentha-1,8-dien-7-al |
ST5308426; (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde; (S)-(−)-Perillaldehyde; ZINC01529472; (−)-Perillaaldehyde; W355704_ALDRICH; 218294_ALDRICH; (4S)-4-isopropenylcyclohexene-1-carbaldehyde; (4S)-4-isopropenyl-1-cyclohexenecarboxaldehyde; InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H; (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde; 77302_FLUKA |
C10H14O |
150.22 |
CC(=C)C1CCC(=CC1)C=O |
|
TCMBANKIN022149 |
Chamissonin diacetate |
[(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate; [(3aR,4R,5E,7R,9E,11aS)-7-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate; C09356; acetic acid [(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,7,8,11,11a-hexahydrocyclodeca[d]furan-4-yl] ester; 24112-95-6; acetic acid [(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester; chamissonin diacetate; [(3aR,4R,5E,7R,9E,11aS)-7-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ethanoate |
C19H24O6 |
348.39 |
CC1=CCC(C(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)C)OC(=O)C |
|
TCMBANKIN022422 |
(−)-Alloaromadendrene |
(−)-allo-Aromadendrene; 05680_FLUKA |
C10H18O |
154.25 |
|
|
TCMBANKIN022566 |
Diosphenol |
SCHEMBL873797; C09854; EINECS 207-704-9; AC1L2WHG; AC1Q6D64; QSIMLPCPCXVYDD-UHFFFAOYSA-N; Buchu camphor; 1-p-menthen-2-ol-3-one; CTK8I8590; LMPR0102090061; Barosma camphor; AKOS022505068; 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-; DTXSID5052127; diosphenol; Buccocamphor; AN-21384; 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one #; 2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; 2-hydroxy-6-isopropyl-3-methyl-cyclohex-2-en-1-one; 2-Hydroxypiperitone; 490-03-9; CHEBI:4632; 2-Hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one |
C10H16O2 |
168.23 |
CC1=C(C(=O)C(CC1)C(C)C)O |
|
TCMBANKIN022737 |
1,1-diethylpropylbenzene |
(1,1-DIETHYLPROPYL)BENZENE; 4170-84-7; Benzene, (1,1-diethylpropyl)-; 4170-07-4; 3-ethylpentan-3-ylbenzene |
C13H20 |
176.3 g/mol |
CCC(CC)(CC)C1=CC=CC=C1 |
|
TCMBANKIN023371 |
(1R,4S,4aR,8aR)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN023639 |
Ibogain |
DEA No. 7260; Ibogaine (8CI); NIH 10567; EINECS 201-498-4; 7-Ethyl-6,6beta,7,8,9,10,12,13-octahydro-2-methoxy-6,9-methano-5H-pyrido(1',2':1,2)azepino(5,4-b)indole; Tabernanthe iboga; 12-Methoxyibogamine; NSC 249764; 17378-46-0; Endabuse |
C20H26N2O |
310.43 |
CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC |
|
TCMBANKIN023809 |
(1R,4S,5S)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanol |
(1R,4S,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol; (1R,4S,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol; (1R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN024249 |
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene |
|
|
280.39 |
|
|
TCMBANKIN025420 |
codeine |
Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-; HSDB 3043; O(3)-methylmorphine; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-; 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol; C06174; l-Codeine; CCRIS 7555; Morphine monomethyl ether; C1653_SIGMA; Methylmorphine; Codeine; CHEBI:16714; 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol; (5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- (8CI); Coducept; Norcodeine, N-methyl; 76-57-3; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- (9CI); Codicept; Morphine-3-methyl ester; Codeine anhydrous; O3-Methylmorphine; EINECS 200-969-1; Morphine 3-methyl ether; Norcodine, N-methyl; Codein; Morphine-3-methyl ether; STOCK1N-42851; (-)-Codeine; Codeine solution; BB_NC-0138; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- (9CI); 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; C5901_SIGMA; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- |
C18H21NO3 |
299.36 |
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
|
TCMBANKIN025532 |
methyl 2-pentanoylbenzoate |
2-valerylbenzoic acid methyl ester; 2-(1-oxopentyl)benzoic acid methyl ester |
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN026109 |
(3S)-3-butyl-3H-isobenzofuran-1-one |
(3S)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN026160 |
ZINC01850974 |
|
C10H16O |
152.23 |
|
|
TCMBANKIN027876 |
2,3,4-Trimethyl-5-phenyloxazolidine |
2,3,4-trimethyl-5-phenyl-oxazolidine; 67061-79-4; 2,3,4-trimethyl-5-phenyloxazolidine; AC1NT18F; 2,3,4-trimethyl-5-phenyl-1,3-oxazolidine |
C12H17NO |
191.27 g/mol |
CC1C(OC(N1C)C)C2=CC=CC=C2 |
|
TCMBANKIN028120 |
Matatabiether |
2,5-dimethyl-9-methylidene-4-oxabicyclo[3.3.1]nonane; matatabiether; AC1NSXW1 |
|
166.29 |
CC1COC2(CCCC1C2=C)C |
|
TCMBANKIN029275 |
(1R,4R,5S)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanol |
(1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol; (1R,4R,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol; (1R,4R,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN029509 |
D-arabinonic acid |
(2S,3R,4R)-2,3,4,5-tetrahydroxyvaleric acid; CHEBI:20912; (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid |
C5H10O6 |
166.13 g/mol |
C(C(C(C(C(=O)O)O)O)O)O |
|
TCMBANKIN030787 |
ascaridole |
|
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN031225 |
guaiene |
beta-guaiene; β-guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN034346 |
Nemerol |
Pethidineter; Pipersal; Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester; 4-Carbethoxy-1-methyl-4-phenylpiperidine; NINDS_000983; Petydyna [Polish]; IDI1_000983; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester; Petidina [INN-Spanish]; 1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester [German]; 1-Methyl-4-phenylisonipecotic acid, ethyl ester; Phetidine; HSDB 3116; Pethanol; 1-methyl-4-phenyl-isonipecotic acid ethyl ester; YIsonipecotic acid, 1-methyl-4-phenyl-, ethyl ester (8CI); 610593_ALDRICH; 1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester; ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; Methyl phenylpiperidine carbonic acid ethyl ester; N-Methyl-4-phenyl-4-carbethoxypiperidine; DivK1c_000983; C07128; DEA No. 9230; Meperidine; Ethyl 1-methyl-4-phenylisonipecotate; EINECS 200-329-1; Pethidinum [INN-Latin]; Pethidin; Isonipecaine; Meperidine solution; Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate; KBio1_000983; Meperidol; Pethidine; 1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester; 57-42-1 |
C15H21NO2 |
247.33 |
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 |
|
TCMBANKIN034667 |
(-)-Tabernemontanine |
|
C21H26N2O3 |
354.44 |
CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
|
TCMBANKIN035091 |
trans,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN035314 |
cis-Pinene hydrate |
ZINC01081323; (1R,2R,5S)-2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol; cis-pinene hydrate; (1R,2R,5S)-2,6,6-trimethylnorpinan-2-ol; (1R,2R,5S)-2,6,6-trimethyl-2-norpinanol |
C10H18O |
154.25 |
CC1(C2CCC(C1C2)(C)O)C |
|
TCMBANKIN035427 |
4,4-dimethylcyclopent-2-en-1-one |
4,4-dimethyl-1-cyclopent-2-enone; 22748-16-9; 4,4-Dimethyl-2-cyclopenten-1-one; 336521_ALDRICH |
C7H10O |
110.15 |
CC1(CC(=O)C=C1)C |
|
TCMBANKIN035766 |
ACETIC ACID,BORNYL ESTER |
ZINC00404304; acetic acid [(1R,2R,4R)-1,7,7-trimethyl-2-norbornanyl] ester; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate; [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] acetate; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H |
C12H20O2 |
196.29 |
|
|
TCMBANKIN035819 |
AI3-23133 |
(1R,2S,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(+)-; (1R,2S,5R)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; (1R-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; 22339-08-8; EINECS 244-920-2; ZINC02242636 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN036214 |
(1S,4R,5R)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanol |
(1S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-4-ol; (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol; (1S,4R,5R)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-4-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN036352 |
salviolone |
|
C18H20O2 |
268.35 |
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
|
TCMBANKIN037002 |
Danshenspiroketallactone |
dan shen-spiroketallactone; danshen spiroketallactone |
|
268.31 g/mol |
|
|
TCMBANKIN037067 |
β-Cedrene |
beta-cedrene; DYLPEFGBWGEFBB-OSFYFWSMSA-N; CTK8F1427; A-Cedrene; (+)-; (+)-?-CEDRENE; 6QL7ERD5Q1; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-; AKOS015896901; 546-28-1; KB-62482; (+)-beta-Funebrene; (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC); 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-; UNII-6QL7ERD5Q1; (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-; (+)-beta-Cedrene; ZINC59778864; (+)-.beta.-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; .beta.-Cedrene; EINECS 208-898-8; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-; beta-Cedrene |
|
204.35 |
|
|
TCMBANKIN037392 |
Corypalline |
NSC131674; 450-14-6; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; corypalline |
|
193.24 |
|
|
TCMBANKIN037512 |
Pterosin O |
(2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-1-indanone; pterosin o; (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one; 54854-89-6; AC1L363E; (2R)-6-(2-methoxyethyl)-2,5,7-trimethyl-indan-1-one; (R)-2,3-Dihydro-6-(2-methoxyethyl)-2,5,7-trimethyl-1H-inden-1-one; 1H-Inden-1-one, 2,3-dihydro-6-(2-methoxyethyl)-2,5,7-trimethyl-, (R)- |
C15H20O2 |
232.32 |
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC)C |
|
TCMBANKIN037541 |
alpha-Cubebene |
α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 |
C15H24 |
204.351 |
C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN037581 |
erythraline |
SCHEMBL19584883; UNII-J7P8WA50QO; CHEMBL518262; Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-(methylenebis(oxy))-, (3beta)-; J7P8WA50QO; 466-77-3; Erythraline; Erythralin |
C18H19NO3 |
297.3 g/mol |
COC1CC23C(=CCN2CCC4=CC5=C(C=C34)OCO5)C=C1 |
|
TCMBANKIN037715 |
isoaromadendrene epoxide |
Isoaromadendrene epoxide |
C15H24O |
220.35 |
C([H])([H])([H])[C@@]1([H])[C@]([H])([C@@]2([H])[C@@]([H])(C([H])([H])[C@@]3([H])[C@]4(C([H])([H])[H])O3)C2(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])C([H])([H])C1([H])[H] |
|
TCMBANKIN038448 |
Isobrucine |
isobrucine |
C23H28N2O4 |
396 |
c1(OC([H])([H])[H])c([H])c([C@@]2([C@@]([H])(N3C([H])([H])C2([H])[H])C([H])([H])[C@@]4([H])\C(=C([H])/C([H])([H])O[H])\C3([H])[H])[C@@]([H])([C@]4([H])C([H])([H])C([H])([H])C5=O)N56)c6c([H])c1OC([H])(
[H])[H] |
|
TCMBANKIN041862 |
trans-carane-cis 4-ol |
|
C10H18O |
154.25 |
|
|
TCMBANKIN043221 |
O-nornuciferine |
(-)-Nornuciferine; 4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-6-methyl-, (R)-; Asimilobine, N-methyl-; CCRIS 3808; 6a-beta-Aporphin-2-ol, 1-methoxy-; 3153-55-7 |
C18H19NO2 |
281.349 |
c1([H])c(c2c(c(C([H])([H])C([H])([H])N3C([H])([H])[H])c([H])c(O[H])c2OC([H])([H])[H])[C@]3([H])C4([H])[H])c4c([H])c([H])c1[H] |
|
TCMBANKIN043304 |
Croweacin |
croweacin; 4-Methoxy-5-(2-propen-1-yl)-1,3-benzodioxole; Benzene, 1-allyl-2-methoxy-3,4-(methylenedioxy)-; 5-allyl-4-methoxy-1,3-benzodioxole; UNII-WS97V62VOQ; 484-34-4; WS97V62VOQ; SCHEMBL2416220; 4-methoxy-5-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-5-(2-propenyl)-; 1,3-Benzodioxole, 4-methoxy-5-(2-propen-1-yl)-; AC1NSTXG |
C11H12O3 |
192.21 |
COC1=C(C=CC2=C1OCO2)CC=C |
|
TCMBANKIN045190 |
Cyprotene |
|
|
192.34 g/mol |
|
|
TCMBANKIN047793 |
dictamnol |
|
C12H22O |
182.302 |
C1([H])([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[C@]2([H])[C@](O[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN048105 |
Seychellane |
|
|
204.39 |
|
|
TCMBANKIN057992 |
betaine |
Betaine; Aristolochic acid; EINECS 258-258-7; Betaine aspartate; carboxy-n,n,n-trimethylmethanaminium(3s)-3-amino-3-carboxypropanoate; TRIMETHYL GLYCINE (+)-ASPARTATE; AC1L2WMU; D07524; betaine hydrochloride; Somathl (TN); glycine betaine; (2S)-2-amino-4-hydroxy-4-oxobutanoate; carboxymethyl(trimethyl)azanium; aristolochic acid A; AC1Q5T26 |
C5H11NO2 |
117.15 g/mol |
C[N+](C)(C)CC(=O)[O-] |
|
TCMBANKIN057994 |
n-candicine |
candicine;AK608281; 2-(4-hydroxyphenyl)ethyl-trimethylazanium; 2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide; AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-; NCGC00246201-01; BDBM73699; P-HYDROXYPHENYLETHYLTRIMETHYLAMMONIUM; 6656-13-9; 2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide; SMR000386994; C10575; SCHEMBL9561478; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium; Candicine; MLS001048976; BRN 4133224; maltoxin; STOCK1N-09195; LS-18378; AC1L2LQA; cid_15127809; 2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium; 2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide; CHEBI:3350; AKOS030573561; BENZENEETHANAMINIUM,4-HYDROXY-N,N,N-TRIMETHYL-; CHEMBL1186075; 4-Hydroxy-N,N,N-trimethylbenzeneethanaminium; MCULE-2664478913; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl- (9CI); FT-0737753; Candicin; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide; ZINC518912 |
C11H18NO+ |
180.27 g/mol |
C[N+](C)(C)CCC1=CC=C(C=C1)O |
|
TCMBANKIN058295 |
salireposide |
beta-D-Glucopyranoside, 2-((benzoyloxy)methyl)-4-hydroxyphenyl;[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl benzoate; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl benzoate; benzoic acid [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester; 16955-55-8; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate; benzoic acid [5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester |
C20H22O9 |
406.4 g/mol |
C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058425 |
serotonine |
AC1L1JTO; Oprea1_712368; KBio2_007608; Tryptamine, 5-hydroxy-; NCGC00142449-02; Ds substance; 6996AB; NCGC00015525-08; Bio2_000396; 14C-5-hydroxy tryptamine creatinine disulfate; KBioGR_002472; 6F7FD5B4-A558-45F0-A20A-2D068A3EFE6A; NCGC00015525-06; NCGC00142449-03; CHEMBL39; Prestwick1_000481; NCGC00015525-02; KBio3_000843; CH-132; ALBB-006183; FT-0631212; MolPort-001-779-633; BRN 0143524; 3-(.beta.-Aminoethyl)-5-hydroxyindole; PDSP1_001512; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; AX8011985; KBioGR_000452; 5-Hydroxytryptamine, free base; DTXSID8075330; NCGC00142449-04; KBio3_002950; Indol-5-ol, 3-(2-aminoethyl)-; Substanz DS; Antemovis; KBio2_000452; L000078; IDI1_002151; Prestwick0_000481; 5-Hydroxy-3-(beta-aminoethyl)indole; AC1Q54C0; serotonin; Prestwick2_000481; LS-83647; 5-Hydroxytryptamine, 5-HT, Enteramine; KBio2_002472; Hippophain; 5-hydroxy-tryptamine; KBio2_005588; Substance DS; SPBio_002262; 2-imino-1-methylimidazolidin-4-one; 3-(2-aminoethyl)-1H-indol-5-ol; bis(sulfuric acid); Biomol-NT_000083; BDBM10755; HMS3403H13; AKOS001484724; NCGC00015525-05; C-06146; HMS1362H13; 5-Hydroxytriptamine; API0006544; I14-1899; ZINC57058; HMS1990H13; Bio2_000876; KB-177045; A-Aminoethyl)-5-hydroxyindole, Thrombotonin; Thrombocytin; CC-21879; NCGC00015525-09; NCGC00142449-05; 3-(2-Aminoethyl)-1H-indol-5-ol #; Enteramine; KBioSS_002479; HMS1792H13; 5-Hydroxy-3-(.beta.-aminoethyl)indole; CAS-153-98-0; 5-Hta; STK503758; GTPL5; KBio3_000844; CTK4J2994; 5-22-12-00016 (Beilstein Handbook Reference); Thrombotonin; 5-hydroxyl tryptamine; AJ-09556; Serotonine; Thrombocytin, 3-(; Bio1_001428; BCBcMAP01_000198; cMAP_000059; EINECS 200-058-9; 5-Hydroxyltryptamine; K-9367; Hippophaine; 3-(beta-Aminoethyl)-5-hydroxyindole; DB-051820; 50-67-9; C00780; BPBio1_001079; Prestwick3_000481; BSPBio_001112; 5-Hydroxy-3-(b-aminoethyl)indole; 333DO1RDJY; SMP1_000272; MCULE-8788459983; Lopac0_000607; H-8000; AK115646; D0F6CD; NCGC00015525-07; 3-(b-Aminoethyl)-5-hydroxyindole; Lopac-H-9523; Bio1_000450; Antemoqua; 5-HYDROXYTRYPTAMINE; BPBio1_000377; TR-018115; Serotonin, analytical standard; KBio2_003020; 3-(2-Aminoethyl)indol-5-ol; STOCK1N-48365; KBioSS_000452; NCGC00142449-01; 3-(2-Aminoethyl)-1H-indol-5-ol; NCGC00015525-04; 1H-Indol-5-ol,3-(2-aminoethyl)-; 5-hydroxy tryptamine creatinine disulfate; 3-(2-Amino-ethyl)-1H-indol-5-ol; NCGC00015525-03; Enteramin; CCG-204696; bmse000757; QZAYGJVTTNCVMB-UHFFFAOYSA-N; CHEBI:28790; UNII-333DO1RDJY; BSPBio_000341; AN-41571; SCHEMBL1495; BG01504460; PDSP2_001496; Bio1_000939; 5-HT; NCGC00015525-01; FCH832159; BG00601775;Serotonin;AIDS-166243; Indol-5-ol, 3-(2-aminoethyl)-; 5-Hydroxytryptamine; Oprea1_712368; KBio2_007608; Substanz DS; Antemovis; Lopac-H-9523; Thrombocytin; Bio1_000450; Antemoqua; KBio2_000452; Tryptamine, 5-hydroxy-; IDI1_002151; Prestwick0_000481; BPBio1_000377; 5-Hydroxy-3-(beta-aminoethyl)indole; Ds substance; Enteramine; AIDS166243; KBio2_003020; KBioSS_002479; 3-(2-Aminoethyl)indol-5-ol; serotonin; Prestwick2_000481; Bio2_000396; NCGC00142449-01; KBioGR_002472; KBioSS_000452; 3-(2-Aminoethyl)-1H-indol-5-ol; 5-Hta; CAS-153-98-0; KBio2_002472; KBio3_000844; 5-22-12-00016 (Beilstein Handbook Reference); Hippophain; Thrombotonin; NCGC00142449-03; Serotonine; KBio2_005588; Substance DS; Prestwick1_000481; SPBio_002262; NCGC00015525-02; Biomol-NT_000083; KBio3_000843; CHEBI:28790; BSPBio_000341; Bio1_001428; cMAP_000059; BCBcMAP01_000198; EINECS 200-058-9; BB_NC-1185; BRN 0143524; PDSP1_001512; 3-(beta-Aminoethyl)-5-hydroxyindole; PDSP2_001496; 50-67-9; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; C00780; BPBio1_001079; Bio1_000939; Prestwick3_000481; NCGC00015525-01; KBioGR_000452; Bio2_000876; BSPBio_001112; SMP1_000272; Lopac0_000607; NCGC00142449-04; KBio3_002950 |
C10H12N2O |
176.21 g/mol |
C1=CC2=C(C=C1O)C(=CN2)CCN |
|
TCMBANKIN058627 |
(+-)-anabasine |
|
C10H14N2 |
162.23 g/mol |
C1CCNC(C1)C2=CN=CC=C2 |
|
TCMBANKIN058726 |
selina-4(15),7(11)-diene |
eudesma-4-(14), 7(11)diene; Gamma-Selinene; eudesma-4(14),7(11)-diene; (4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene; CHEBI:138051; gamma-selinene; Selina-4(15),7(11)-diene; 515-17-3; C21707; Selina-4(14),7(11)-diene; (4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene; RMZHSBMIZBMVMN-LSDHHAIUSA-N; Eudesma-4(14),7(11)-diene |
C15H24 |
204.35 g/mol |
CC(=C1CCC2(CCCC(=C)C2C1)C)C |
|
TCMBANKIN058793 |
osthol |
Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; AIDS-221947; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; Osthole isolated from Scutellaria baicalensis; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; AIDS-104947; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; ZINC00000566; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; 7-methoxy-8-(3-methylbut-2-enyl)-2-chromenone; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-enyl)coumarin; AIDS104947; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; AIDS221947; KBioGR_001954; osthol ; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; osthol; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; osthole ; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; 7-methoxy-8-[3-methylpent-2-enyl]coumarin; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 7-methoxy-8-isopentenoxycoumarin; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; KBioGR_001954; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; ostole;osthole |
C15H16O3 |
244.28 g/mol |
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
|
TCMBANKIN058858 |
ginsenoside- Rg1 |
ginsenoside-rg1;(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclop; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[; C08946; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-; 22427-39-0; sanchinoside rg1; Sanchinoside C1 |
C42H72O14 |
801.01 g/mol |
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C |
|
TCMBANKIN058949 |
eugenone |
eugenon; 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione; Eugenone; 2,4,6-Trimethoxybenzoylacetone; J167.369F; ?eugenone ; 480-27-3; AKOS027749230; 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione; AC1NSVC9; UNII-Q49DQ8CSTB; Q49DQ8CSTB;4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal |
C13H16O5 |
252.26 g/mol |
CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC |
|
TCMBANKIN058991 |
Fenchylacetat |
Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN059023 |
()-Bornyl acetate |
ZINC00388664; ()-Acetic acid bornyl ester; 45853_FLUKA; endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1CC2CCC1(C2(C)C)C |
|
TCMBANKIN059077 |
Tybraine |
(1R,2S)-(−)-N-Methylephedrine; SPBio_001271; SPECTRUM2300220; Spectrum2_001196; Spectrum4_000739; 66893_FLUKA; Methylephedrine [BAN]; KBio2_000911; IDI1_000283; KBio2_006047; N-METHYL(-)EPHEDRINE; (−)-N-Methylephedrine; L-erythro-2-Dimethylamino-1-phenylpropanol; (1R,2S)-2-dimethylamino-1-phenyl-propan-1-ol; KBioSS_000911; [R-(R*,S*)]-alpha-[1-(Dimethylamino)ethyl]benzenemethanol; EINECS 209-022-7; KBio2_003479; KBio3_001581; 235210_ALDRICH; Spectrum5_001055; (1R,2S)-2-dimethylamino-1-phenylpropan-1-ol; NINDS_000283; BSPBio_002361; Spectrum3_000671; KBio1_000283; L-erythro-alpha-(1-Dimethylaminoethyl)benzylalkohol; (−)-(1R,2S)-2-Dimethylamino-1-phenylpropanol; Spectrum_000431; (1R,2S)-(−)-2-Dimethylamino-1-phenylpropanol; DivK1c_000283; Benzenemethanol, alpha-((1S)-1-(dimethylamino)ethyl)-, (alphaR)-; KBioGR_001038; (1R,2S)-2-Dimethylamino-1-phenyl-1-propanol;()-N-Methylephedrine;(1S,2R)-()-N-Methylephedrine; 66892_FLUKA; EINECS 214-859-6; 287776_ALDRICH; (1S,2R)-2-dimethylamino-1-phenyl-propan-1-ol; ST5405724; ()-(1S,2R)-2-Dimethylamino-1-phenylpropanol; (1S,2R)-()-2-Dimethylamino-1-phenylpropanol; (R*,S*)-(1)-alpha-(1-(Dimethylamino)ethyl)benzyl alcohol; 1201-56-5; (1S,2R)-2-dimethylamino-1-phenylpropan-1-ol |
C11H17NO |
179.26 g/mol |
CC(C(C1=CC=CC=C1)O)N(C)C |
|
TCMBANKIN059188 |
beta-Terpinene |
1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) |
C10H16 |
136.23 |
CC(C)C1=CCC(=C)CC1 |
|
TCMBANKIN059197 |
1,4-cineole |
21499-90-1; DTXSID3047396; SCHEMBL18993155; RFFOTVCVTJUTAD-UHFFFAOYSA-N; 1,4-Cineole, technical, mixture of isomers, >=85% (GC); UNII-B55JTU839B; B55JTU839B; ZINC2040513; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane, 9CI; SCHEMBL15450554; 470-67-7; 1,4-Cineole, analytical standard; (1S,4S)-1-ISOPROPYL-4-METHYL-7-OXABICYCLO[2.2.1]HEPTANE; EINECS 207-428-9; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- (6CI); 1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane; p-Menthane, 1,4-epoxy-; CHEMBL2288022; FEMA No. 3658; SCHEMBL13180469; 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane; 1,4-EPOXY-P-MENTHANE; AN-23468; 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE; (1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; SCHEMBL231925; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane #; Isocineple; LS-2625; Isocineole; BRN 0104974; 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-; 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; Ambap470-67-7; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-; AC1L1UI5; HSDB 5425; 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane; 1,4-Cineole, >=95%, FG; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane; 4-methyl-1-propan-2-yl-7-oxabicyclo[2.2.1]heptane; 5-17-01-00273 (Beilstein Handbook Reference); 1,4-Cineole; CHEBI:80788; MFCD00209502; p-Menthane, 1,4-epoxy; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane; CJ-32389; 1-isopropyl-4-methylbicyclo[2.2.1]heptane; C16909; 1beta,4beta-Epoxy-p-menthane; 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-; 1,4-Cineole (natural); 1,4-Cineol; 1,4-Cineole, >=85%;7-oxabicyclo-2.2.1-heptane,1-methyl-4-[1-methylethyl]-;isocineole;1,4-cineole; 1,4-Cineol |
C10H18O |
154.25 g/mol |
CC(C)C12CCC(O1)(CC2)C |
|
TCMBANKIN059518 |
1,3,3-trimethyltricyclo[2.2.1.02,6]heptane |
|
C10H16 |
136.23 g/mol |
CC1(C2CC3C1C3(C2)C)C |
|
TCMBANKIN059521 |
B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
|
TCMBANKIN059530 |
2,3-dehydro-1,8-cineole |
|
C10H16O |
152.23 |
CC1(C2CCC(O1)(C=C2)C)C |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059704 |
beta-citraurin |
|
C30H40O2 |
432.64 g/mol |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
|
TCMBANKIN059911 |
cuparene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C2(CCCC2(C)C)C |
|
TCMBANKIN059944 |
.alpha.-Ionene |
|
C13H18 |
174.28 |
CC1=CC2=C(C=C1)C(CCC2)(C)C |
|
TCMBANKIN059999 |
beta-Chamigrene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CC1)C(=C)CCCC2(C)C |
|
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
|
TCMBANKIN060414 |
(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone |
|
C14H18O2 |
218.29 |
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C |
|
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=C)C |
|
TCMBANKIN060458 |
cubenol |
|
C15H26O |
222.37 |
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C |
|
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
|
TCMBANKIN060467 |
(6Z,10S)-3-isopropylidene-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
|
C15H22O2 |
234.33 |
CC1CCC=C(CC(=O)C(=C(C)C)CC1=O)C |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060569 |
patchoulane |
|
C15H26 |
206.37 |
CC1CCC23C1CC(C2(C)C)CCC3C |
|
TCMBANKIN060585 |
α-funebrene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C13CC=C(C(C3)C2(C)C)C |
|
TCMBANKIN060595 |
(-)-Isorotundene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C1CC3CCC2(CC3=C)C |
|
TCMBANKIN060602 |
Dihydro-β-agarofuran |
|
C15H26O |
222.37 |
CC1CCCC2(C13CC(CC2)C(O3)(C)C)C |
|
TCMBANKIN060771 |
hexane,2,2,3,3-tetra-methyl-;2,2,3,3-TETRAMETHYLHEXANE |
|
C10H22 |
142.28 g/mol |
CCCC(C)(C)C(C)(C)C |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN061305 |
penniclavine |
|
C16H18N2O2 |
270.33 g/mol |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)(CO)O |
|
TCMBANKIN061321 |
n-methyl-corypalline |
|
C12H17NO2 |
207.27 g/mol |
CN1CCC2=CC(=C(C=C2C1)OC)OC |
|
TCMBANKIN061341 |
nuciferine |
AC1MP6HA; Nuciferine; (R)-1,2-Dimethoxyaporphine; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-; AIDS189198; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI); l-5,6-Dimethoxyaporphine; AIDS-189198; 6a-beta-APORPHINE, 1,2-DIMETHOXY-; l-Nuciferine; Sanjoinine E; 475-83-2; (-)-Nucipherine; Nuciferin |
C19H21NO2 |
295.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
|
TCMBANKIN061364 |
roemerine |
ZINC32273181; 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol, 6,7,7a,8-tetrahydro-7-methyl-, (7aR)-
6a-beta-Aporphine, 1,2-(methylenedioxy)-; (-)-Aporheine; STOCK1N-07907; Remerine; Remerine (alkaloid); Roemerin; CCRIS 3809; l-Roemerine; 548-08-3; NCGC00163613-01; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (7aR)-; (7aR)-7-Methyl-6,7,7a,8-tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline;Remerin |
C18H17NO2 |
279.3 g/mol |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 |
|
TCMBANKIN061371 |
nicotine |
36733_RIEDEL; 2yk1; CHEBI:59806; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; D03365; 54-11-5; NCGC00090693-03; 46343_RIEDEL; C00745; Nicotine; NCGC00090693-04; AIDS-156031; 65-31-6 (R,R-BITARTRATE); (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; Habitrol (TN); SBB012359; N5511_SIGMA; (−)-Nicotine; Nicotine (compounds related to); PDSP2_000555; NCT; N3876_SIGMA; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine; NCGC00090693-01; ZB012057; (S)-(-)-nicotine; CHEBI:17688; SDCCGMLS-0066911.P001; (S)-nicotinium(1+); AC1OCG5J; 3-(2-(N-methylpyrrolidinyl))pyridine; NSC97238 (R,R-BITARTRATE SALT); 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine; (S)-nicotinium cation; AIDS156031; NCGC00090693-05; PDSP1_000465; PDSP1_000113; PDSP2_000463; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; Nicotine (USP); 54-11-5 (FREE BASE); L(-)-nicotine; (−)-Nicotine solution |
C10H14N2 |
162.23 g/mol |
CN1CCCC1C2=CN=CC=C2 |
|
TCMBANKIN061684 |
APIOL |
SPBio_000378; Apiol; NCGC00094551-03; 1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene; NCGC00094551-02; UNII-QQ67504PXO; Parsley apiol; LS-29055; apiol ; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; apiol; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; ZERO/009048; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; Spectrum2_000419; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643; APIOL; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; Spectrum2_000419; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643 |
C12H14O4 |
222.24 |
COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
|
TCMBANKIN061919 |
1,2,6,7-Tetradehydro-3,15-dimethoxyerythrinan-16-ol |
Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3beta)-,erysodine |
C18H21NO3 |
299.4 g/mol |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1 |
滇IICP备16009434号-1 |
Dai SX Lab