|
TCMBANKIN000053 |
stachydrine |
dimethylproline; (-)-Stachydrine; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; 104622-EP2301932A1; AJ-38211; (2S)-1,1-DIMETHYL-1??-PYRROLIDINE-2-CARBOXYLIC ACID; Prestwick2_000622; SR-05000002246; SCHEMBL578113; (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid; BPBio1_000644; 1sw1; 2b4m; Prestwick1_000622; ZINC2528042; SPBio_002803; stachy-drine; BSPBio_000584; SC-20792; AC1L9LTA; CHEBI:44813; Prestwick0_000622; N,N-dimethyl-L-prolinium; 1,1-DIMETHYL-PROLINIUM; SR-05000002246-2; Prestwick3_000622 |
C7H13NO2 |
143.18 g/mol |
C[N+]1(CCCC1C(=O)[O-])C |
|
TCMBANKIN000062 |
Fraxinellone |
28808-62-0; 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- (9CI); Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-; NCI60_012928; NSC638730; fraxinellone; (3R,3aR)-3-furan-3-yl-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; fraxinellone ; (3R,3aR)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; ZINC00265490 |
C14H16O3 |
232.27 |
CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3 |
|
TCMBANKIN000069 |
Deoxyelephantopin |
29307-03-7; Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)-; BRN 1662665; C09388; deoxyelephantopin; NSC 259726; ESD; LMPR01030021; LS-71188 |
C19H20O6 |
344.36 |
CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
|
TCMBANKIN000081 |
dehydrocostus lactone |
dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 |
C15H18O2 |
230.3 |
C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN000088 |
cryptotanshinone |
NCI60_031208; CTS; 4733-35-1; A822990; C19H22O3; ZINC02109876; SMR000387041; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g][1]benzoxole-10,11-dione; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-quinone; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; NCGC00163650-01; BB_NC-1574; Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-; MolPort-006-823-903; (1R)-1,6,6-trimethyl-1,2,3a,6,7,8,9,11a-octahydrophenanthro[1,2-b]furan-10,11-dione; MLS001049002; 35825-57-1; DTXSID0044072; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-dione; (-)-Cryptotanshinone; Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; SPECTRUM1505812 |
C19H20O3 |
296.36 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C |
|
TCMBANKIN000152 |
eudesma-5,11(13)-dien-8,12-olide |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN000214 |
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione |
7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione; 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-quinone; 1-Oxa-spiro[4.5]deca-6,9-diene-2,8-dione, 7,9-di-tert-butyl- |
C17H24O3 |
276.4 g/mol |
CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C |
|
TCMBANKIN000288 |
(1R,2R,4R)-Dihydrocarveol |
(1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol; LMPR01020079; (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; (1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol; (−)-Dihydrocarveol; C11396; (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol; 37278_FLUKA; (1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN000329 |
Erysotrine |
C09423; 27740-43-8; erysotrine |
C19H23NO3 |
313.39 |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
TCMBANKIN000405 |
1,5-diethyl-2,3-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN000443 |
8-debenzoylpaeonidanin_qt |
|
|
228.27 |
|
|
TCMBANKIN000447 |
Aucubin_qt |
|
C15H22O9 |
346.33 |
|
|
TCMBANKIN000626 |
caryophyllene alcohol |
|
C15H26O |
222.37 |
|
|
TCMBANKIN000682 |
Curculigoside_qt |
curculigoside A_qt |
C22H26O11 |
466.44 |
|
|
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 |
|
TCMBANKIN000712 |
betonicine |
|
C7H14NO3+ |
160.19 g/mol |
C[N+]1(CC(CC1C(=O)O)O)C |
|
TCMBANKIN000791 |
Herbacetin |
DTXSID70415061; ZINC6536276; 8-Hydroxykaempferol; AK608438; FT-0688291; 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 8144AH; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3,4',5,7,8-Pentahydroxyflavone; MolPort-019-998-217; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; C02806; A829256; Herbacetin, >=98% (HPLC); ZDOTZEDNGNPOEW-UHFFFAOYSA-N; SCHEMBL872691; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113149; 527-95-7; Ambap527-95-7; herbacetin; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; D09YVT; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 3,5,7,8,4'-Pentahydroxyflavone; MFCD00210585; BDBM50304350; PubChem9861; 4H-1-Benzopyran-4-one,3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; AC1NQX74; AKOS030573690; CHEMBL611029 |
C15H10O7 |
302.24 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O |
|
TCMBANKIN000794 |
Senkyunolide G |
SCHEMBL10823272; 94530-85-5; 3-Butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; senkyunolide g; SenkyunolideG; (3S)-3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one; (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; AKOS032949111 |
C12H16O3 |
208.25 |
CCCCC1(C2=C(C=CCC2)C(=O)O1)O |
|
TCMBANKIN000842 |
1-Methyl-5,6-divinyl-1-cyclohexene |
|
C11H16 |
148.24 g/mol |
CC1=CCCC(C1C=C)C=C |
|
TCMBANKIN000846 |
ABK |
Dormin (VAN); NSC 148832; (+)-Abscisic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; BRN 2698956; 00012_FLUKA; NSC 146877; (S)-(+)-Abscisic acid; (S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid; C06082; (2Z,4E)-5-[(1S)-1-hydroxy-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid; SMP2_000105; EINECS 244-319-5; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-; Abscisin II; Acide abscisique [French]; (7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid; CHEBI:2365; A4906_SIGMA; 21293-29-8; ()-Abscisic acid |
C15H20O4 |
264.32 |
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
|
TCMBANKIN000888 |
swertiajaposide A_qt |
|
|
226.25 |
|
|
TCMBANKIN000991 |
dan-shexinkum b |
|
|
280.34 |
|
|
TCMBANKIN000994 |
CLOVENE |
469-92-1; clovene |
C15H24 |
204.35 |
CC1(C=CC23C1CCC(C2)(CCC3)C)C |
|
TCMBANKIN001076 |
7-methyl-4-methylethenyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
|
|
190.36 |
|
|
TCMBANKIN001137 |
C09495 |
13476-25-0 |
C15H16O4 |
260.29 |
CC1=CCCC23C(O2)C(C4=C(C1)OC=C4C)OC3=O |
|
TCMBANKIN001161 |
loganic |
|
|
176.19 |
|
|
TCMBANKIN001247 |
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl- |
(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one |
C13H18O |
190.28 g/mol |
CC1(CC=C2CCCC2=CC(=O)C1)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 |
|
TCMBANKIN001304 |
nerohdyl acetate |
|
|
264.45 |
|
|
TCMBANKIN001316 |
Aloesone |
2-acetonyl-7-hydroxy-5-methyl-chromen-4-one; 2-acetonyl-7-hydroxy-5-methyl-chromone; 2-acetonyl-7-hydroxy-5-methyl-4-chromenone; 7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one; aloesone |
C13H12O4 |
232.23 |
CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O |
|
TCMBANKIN001325 |
2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN001448 |
1,5,8-trimethyl-1,2-dihydronaphthalene |
1,5,8-trimethyl-1,2-dihydro-naphthalene |
|
172.29 |
|
|
TCMBANKIN001549 |
orientalol,f |
|
|
236.39 |
|
|
TCMBANKIN001557 |
[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol |
|
|
168.31 |
|
|
TCMBANKIN001638 |
Ioniceracetalides B_qt |
|
|
314.37 |
|
|
TCMBANKIN001694 |
Isogermacrone |
(2E,7Z)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2Z,7E)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one; (2E,7Z)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; (2E,7Z)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2Z,7Z)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; (2Z,7Z)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-2,7-dien-1-one; (2Z,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one; 5975-50-8; (2Z,7Z)-10-isopropylidene-3,7-dimethyl-1-cyclodeca-2,7-dienone; (2E,7Z)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one; 2,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)-; (2Z,7Z)-10-isopropylidene-3,7-dimethyl-cyclodeca-2,7-dien-1-one |
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)C=C(CCC1)C |
|
TCMBANKIN001738 |
l-alpha-Fenchone |
11000-29-6; (1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one; 7787-20-4; EINECS 232-107-5; (1R,4S)-1,3,3-trimethylnorbornan-2-one; (1R,4S)-fenchan-2-one; CHEBI:36612; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1theta)-; 1,3,3-Trimethylnorbornan-2-one; (1R,4S)-fenchone; InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H; (1R,4S)-1,3,3-trimethyl-2-norbornanone; Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R,4S)-; L-alpha-Fenchone; ZINC00967570 |
C10H16O |
152.23 |
CC1(C2CCC(C2)(C1=O)C)C |
|
TCMBANKIN001739 |
transsabinenehydrate |
Trans- Sabinene hydrate; trans-sabinenehydrate; trans-sabinene hydrate |
C10H18O |
154.25 |
CC(C)C12CCC(C1C2)(C)O |
|
TCMBANKIN001794 |
(2R)-5,7-dihydroxy-2-phenylchroman-4-one |
TNP00071; NCGC00017205-01; ST024705; ZINC00004935; (2R)-5,7-dihydroxy-2-phenyl-chroman-4-one; NCGC00142377-01; (2R)-5,7-dihydroxy-2-phenyl-4-chromanone |
C15H12O4 |
256.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 |
|
TCMBANKIN001797 |
(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-1-decalinol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol; (1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN001873 |
Kadsurenin B |
AC1NSX8S; (6R)-7-(1,3-benzodioxol-5-yl)-8-hydroxy-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one; kadsurenin b |
|
342.42 |
CC1C(C2C(C1(C=C(C2=O)CC=C)OC)O)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN001890 |
cis-ligustilide |
(3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one; (3E)-3-butylidene-4,5-dihydroisobenzofuran-1-one |
C12H14O2 |
190.24 |
CCCC=C1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN001911 |
Encecalin |
CHEMBL451983; CHEBI:4789; NSC603929; C09005; 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl; 20628-09-5; encecalin; 4CN-1599; SCHEMBL4310132; WXVLCNREBFDEKS-UHFFFAOYSA-N; AKOS032948499; NSC-603929; 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone; ZINC897924; Isolated from Asteraceae plants; Encecaline; NSC 603929; 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone; ACon1_002222; 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone; Encecalin (methyleupatoriochromene); Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; W1949; AC1Q5GA2; 6-acetyl-7-methoxy-2,2-dimethylchromene; 1-(7-methoxy-2,2-dimethyl-6-chromenyl)ethanone; MolPort-001-742-371; AC1L3FTK; CTK8D7503; MEGxp0_001567; NP-009521; MCULE-1012949526 |
C14H16O3 |
232.27 |
CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
|
TCMBANKIN001976 |
ZINC01532096 |
(1S,5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-quinone; ZINC01532095; (1S,5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione |
|
284.15 |
|
|
TCMBANKIN001988 |
(1R,3aS,4S,8aR)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol |
(1R,3aS,4S,8aR)-7-(1-hydroxy-1-methylethyl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol; (1R,3aS,4S,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol |
|
254.41 |
|
|
TCMBANKIN002027 |
(2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanone |
(2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one |
|
152.26 |
|
|
TCMBANKIN002031 |
cyclopentanecarboxylic acid, 3-methylene-, 1,7,7-trimethylbicyclo |
|
|
262.43 |
|
|
TCMBANKIN002067 |
methyl 2,4-dimethoxy-6-methylbenzoate |
Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester; ST5408056; methyl 2,4-dimethoxy-6-methyl-benzoate; 2,4-dimethoxy-6-methylbenzoic acid methyl ester; o-Toluic acid, 4,6-dimethoxy-, methyl ester; 2,4-dimethoxy-6-methyl-benzoic acid methyl ester; ZINC02149958 |
C11H14O4 |
210.23 |
CC1=CC(=CC(=C1C(=O)OC)OC)OC |
|
TCMBANKIN002077 |
germacrone-13-al |
13-hydroxygermacrone |
C15H20O2 |
232.32 g/mol |
CC1=CCC(=C(C)C=O)C(=O)CC(=CCC1)C |
|
TCMBANKIN002078 |
Dow Corning product Z-6187 |
CM8650; cyclohexyl-dimethoxy-methylsilane; cyclohexyl-dimethoxy-methyl-silane; 435635_ALDRICH; Cyclohexyl(dimethoxy)methylsilane |
C9H20O2Si |
188.34 |
CO[Si](C)(C1CCCCC1)OC |
|
TCMBANKIN002128 |
[(3R)-3,7-dimethylocta-1,6-dien-3-yl] acetate |
LMPR01020058; ZINC01531613; [(3R)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate; acetic acid [(1R)-1,5-dimethyl-1-vinylhex-4-enyl] ester; C09863; acetic acid [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate |
C12H20O2 |
196.29 |
CC(=CCCC(C)(C=C)OC(=O)C)C |
|
TCMBANKIN002131 |
trans-8,10-diethyl lobelionol |
|
|
227.39 |
|
|
TCMBANKIN002173 |
selina-4(14),7(11)-dien-8-one |
[selina-4(14),7(11)-dien-8-one] |
C15H22O |
218.33 |
CC(=C1CC2C(=C)CCCC2(CC1=O)C)C |
|
TCMBANKIN002214 |
Murolan-3,9(11)-diene-10-peroxy |
|
C15H24O2 |
236.35 g/mol |
CC1C=CC(C2C1CCC(=C)C2OO)C(C)C |
|
TCMBANKIN002274 |
isohumbertiol-3-o-{α-L-rhamnopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)-[α-L-rhamnopyranosyl(1→6)]}-β-D-glucopyranoside_qt |
|
|
236.39 |
|
|
TCMBANKIN002385 |
3B-hydroxy-4(8)-ene-P-mentllane-3(9)-lactone |
|
|
180.27 |
|
|
TCMBANKIN002530 |
sessilifoliamide C |
|
C17H25NO3 |
291.4 g/mol |
CCC(C1CCCCN2C1CCC2=O)C3C=C(C(=O)O3)C |
|
TCMBANKIN002635 |
4,5-dihydrofuranodiene-6-one |
|
|
232.35 |
|
|
TCMBANKIN002759 |
cis-Verbenyl acetate |
[(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate; [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ethanoate; acetic acid [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ester |
C12H18O2 |
194.27 |
CC1=CC(C2CC1C2(C)C)OC(=O)C |
|
TCMBANKIN002787 |
(S)-(+)-alpha-Phellandrene |
C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
C10H16 |
136.23 |
CC1=CCC(C=C1)C(C)C |
|
TCMBANKIN002793 |
8-Epilpganic acid_qt |
8-Epiloganic acid_qt |
C16H24O10 |
376.36 |
|
|
TCMBANKIN002843 |
3β-acetoxyatractylone |
|
C17H22O3 |
274.35 |
|
|
TCMBANKIN002844 |
L-Pantolactone |
55199_FLUKA; (3S)-3-hydroxy-4,4-dimethyl-2-tetrahydrofuranone; (S)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone; (S)-()-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone; (3S)-3-hydroxy-4,4-dimethyloxolan-2-one; (3S)-3-hydroxy-4,4-dimethyl-oxolan-2-one; (S)-()-beta,beta-Dimethyl-alpha-hydroxy-gamma-butyrolactone; 437328_ALDRICH; (3S)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one; ZINC00155362; (S)-()-Pantolactone |
C6H10O3 |
130.14 |
CC1(COC(=O)C1O)C |
|
TCMBANKIN002871 |
ISOPROPYL FORMATE |
EINECS 210-901-2; 625-55-8; propan-2-yl formate; InChI=1/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H; HSDB 6401; 1-Methylethyl formate; 476455_ALDRICH; Formic acid 1-methylethyl ester; Isopropyl methanoate; 4-02-00-00027 (Beilstein Handbook Reference); ZINC02031649; Formic acid, 1-methylethyl ester; propan-2-yl methanoate; Formic acid, isopropyl ester; BRN 1735844; AI3-15407; FEMA No. 2944; formic acid isopropyl ester |
C4H8O2 |
88.11 |
CC(C)OC=O |
|
TCMBANKIN002929 |
Eucommiol |
(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)-1-cyclopent-3-enol; AC1L4C59; eucommiol; (1R,2R)-2-(2-hydroxyethyl)-3,4-dimethylol-cyclopent-3-en-1-ol; (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol; CHEBI:133889; 55930-44-4; SCHEMBL422795; C17878; DTXSID80204529; 1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)- |
C9H16O4 |
188.22 |
C1C(C(C(=C1CO)CO)CCO)O |
|
TCMBANKIN002976 |
2,3-Butanediol, meso- |
(2R,3S)-butane-2,3-diol; 513-85-9; NSC2164; ZINC01767640; 18969_FLUKA; 5341-95-7; 361461_ALDRICH; 2,3-Butanediol, (R*,S*)-; erythro-2,3-Butanediol; ZINC01577184 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN003060 |
()-Valencene |
75056_FLUKA; (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene; W344303_ALDRICH; (3R,4aR,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene; (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
TCMBANKIN003075 |
zederone |
CHEBI:80915; 7727-79-9; AKOS032948437; C17085; Zederone |
C15H18O3 |
246.3 g/mol |
CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C |
|
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 |
|
TCMBANKIN003124 |
Eudesma-4,6-dien-3-one |
(4aR)-7-isopropyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one; Eudesma-4,6-dien-3-one (.beta.-cyperone); (4aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one |
C15H22O |
218.33 g/mol |
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C |
|
TCMBANKIN003134 |
Pteleprenine |
6-methoxy-9-methyl-7-(3-methylbut-2-enyl)-[1,3]dioxolo[4,5-h]quinolin-8-one; 17232-50-7 |
C17H19NO4 |
301.34 |
CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C |
|
TCMBANKIN003148 |
Teucvin |
12-epi-Teucvin; teucvin |
C19H20O5 |
328.36 |
CC1CC2C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)O2 |
|
TCMBANKIN003355 |
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN003382 |
dalbergin |
2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-phenyl-; AC1L9DDQ; CHEMBL1829658; ZINC00899783; Dalbergin; TC-071472; AKOS015856200; 6-Hydroxy-7-methoxy-4-phenyl-chromen-2-one; ZB015167; ZINC899783; FT-0660660; LMPK12100003; 6-hydroxy-7-methoxy-4-phenylchromen-2-one; DTXSID60331943; 6-hydroxy-7-methoxy-4-phenyl-2H-chromen-2-one; C-54609; ST5308886; SCHEMBL620349; 6-hydroxy-7-methoxy-4-phenyl-chromen-2-one; CHEBI:4308; AZELSOYQOIUPBZ-UHFFFAOYSA-N; AK396227; CTK8D4059; 6-hydroxy-7-methoxy-4-phenyl-coumarin; ST50308886; 6-Hydroxy-7-methoxy-4-phenylcoumarin; 6-hydroxy-7-methoxy-4-phenyl-2-chromenone; MFCD00075721; KB-248863; C10414; 482-83-7 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN003409 |
Proglobeflowery acid |
proglobeflowery acid; 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid; 146367-85-3; 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid; Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)- |
C13H16O4 |
236.26 |
CC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C |
|
TCMBANKIN003441 |
melittoside_qt |
Danmelittoside_qt |
|
200.21 |
|
|
TCMBANKIN003451 |
DGN |
(2R)-2,5-diamino-5-oxopentanoic acid; C00819; ST5409906; NCGC00015472-01; 49410_FLUKA; NCGC00163333-01; CHEBI:17061; (2R)-2,5-diamino-5-oxo-pentanoic acid; 5959-95-5; InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10; (2R)-2-amino-4-carbamoylbutanoic acid; (2R)-2,5-diamino-5-keto-valeric acid; (R)-2,5-diamino-5-oxopentanoic acid; D-Glutaminsaeure-5-amid; D-2-Aminoglutaramic acid; G9003_SIGMA; D-Glutamine; D-Glutamin; Lopac-G-3126; D-Glutamic acid 5-amide |
C5H10N2O3 |
146.14 |
C(CC(=O)N)C(C(=O)O)N |
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003710 |
3,3-Dimethylpentane |
562-49-2; InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H; 118451_ALDRICH; NSC74150; EINECS 209-230-8; FR-2188; 3,3-dimethyl pentane; NSC 74150; Pentane, 3,3-dimethyl- |
C7H16 |
100.2 |
CCC(C)(C)CC |
|
TCMBANKIN003749 |
furanoeudesma- 1,4-diene-6-one |
|
|
228.31 |
|
|
TCMBANKIN003789 |
Leonuride(ajugol)_qt |
|
C15H24O9 |
348.35 |
|
|
TCMBANKIN003856 |
1-methyl-6,7-dioxabicyclo[3.2.1]octane |
|
|
128.19 |
|
|
TCMBANKIN003867 |
cis-Piplartine |
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; CAS-20069-09-4; 1-[(Z)-3-(3,4,5-trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2-one; 1-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2-one; NCGC00016746-01; 1-[(Z)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-5,6-dihydropyridin-2-one; 1-[(2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one; InChI=1/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7; 8(Z)-N-(12,13,14-Trimethoxycinnamoyl)-Delta3-pyridin-2-one; 2(1H)-pyridinone, 5,6-dihydro-1-[(2Z)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]- |
C17H19NO5 |
317.34 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O |
|
TCMBANKIN003871 |
SRT |
Butanedioic acid, 2,3-dihydroxy-, (R*,S*)-; 1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID); (2R,3S)-2,3-dihydroxysuccinic acid; InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10; Mesoweinsaeure; internally compensated tartaric acid; (2R,3S)-tartaric acid; (2R,3S)-2,3-dihydroxybutanedioic acid; (R*,S*)-2,3-dihydroxybutanedioic acid; Internally compensate tartaric acid; S,R MESO-TARTARIC ACID; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; erythraric acid; CHEBI:15673; unresolvable tartaric acid |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN003885 |
Sinapyl alcohol |
404586_ALDRICH; Sinapic alcohol; Phenol, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-; Sinapoyl alcohol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxy-phenol; 4-Hydroxy-3,5-dimethoxycinnamyl alcohol; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol; sinapyl alcohol; 537-33-7; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol; 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-; ST069367; CHEBI:28813; C02325; 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol; InChI=1/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3; Sinapyl alcohol, (E) |
C11H14O4 |
210.23 |
COC1=CC(=CC(=C1O)OC)C=CCO |
|
TCMBANKIN003886 |
phenanthrone |
|
C14H10O |
194.23 g/mol |
C1C2=CC=CC=C2C3=CC=CC=C3C1=O |
|
TCMBANKIN003902 |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)quinolin-2-one |
3-(2-keto-3-methyl-butyl)-4,8-dimethoxy-1-methyl-carbostyril; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxo-butyl)quinolin-2-one; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobutyl)-2-quinolinone |
|
303.39 |
|
|
TCMBANKIN003905 |
(3R)-2,2,3-trimethyloxirane |
ZINC02037441 |
C5H10O |
86.13 |
CC1C(O1)(C)C |
|
TCMBANKIN003917 |
(1R,4S,5R)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene |
(1R,4S,5R)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene; (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene; (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene |
C15H24 |
204.35 |
|
|
TCMBANKIN003930 |
Chuanxiongol |
(1Z)-1-butylidene-8-hydroxyisochroman-4-one; 1-Butylidene-8-hydroxy-1H-2-benzopyran-4(3H)-one; (1Z)-1-butylidene-8-hydroxyisochromen-4-one; (1Z)-1-butylidene-8-hydroxy-isochroman-4-one; (1Z)-1-butylidene-8-hydroxy-4-isochromanone; AC1NSTKT; chuanxiongol |
C12H14O3 |
206.24 |
CCCC=C1C2=C(C=CC=C2O)C(=O)CO1 |
|
TCMBANKIN003931 |
7R,8R-8-hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-ene |
|
C15H24O |
220.35 g/mol |
CC(=C1CCC2(CC(=CC1)CCC2O)C)C |
|
TCMBANKIN003976 |
S-Atenolol |
(S)-(−)-Atenolol; 93379-54-5; BB_SC-2098; NCGC00015007-02; Lopac-A-142; NCGC00015007-01; CAS-56715-13-0; Lopac-A-143; Prestwick0_000536; NCGC00016880-02; (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; Esatenolol (JAN/INN); NCGC00024570-01; Prestwick3_000953; NCGC00024566-01; EU-0100156; (S)-Atenolol; NCGC00015007-03; Prestwick2_000536; 2-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide; Esatenolol; NCGC00093636-03; 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; CAS-93379-54-5; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide; Prestwick1_000536; BSPBio_000946; (−)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; Lopac-A-7655; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide; S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide; Tocris-0387; NCGC00016880-01; Tocris-0393; 330892_ALDRICH; BPBio1_001042; Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-; NCGC00024570-04; Lopac0_000156; SPBio_002472; A143_SIGMA; D01471; (-)-Atenolol |
C14H22N2O3 |
266.34 |
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
|
TCMBANKIN004032 |
Methoxyacetic acid,1-cyclopentylethyl ester |
|
C10H18O3 |
186.25 g/mol |
CC(C1CCCC1)OC(=O)COC |
|
TCMBANKIN004092 |
terrestric acid |
|
C11H14O4 |
210.23 |
CCC1CCC(=C2C(=O)C(OC2=O)C)O1 |
|
TCMBANKIN004129 |
9alpha-hydroxyfraxinellone-9-o-beta-d-glucoside_qt |
|
|
262.33 |
|
|
TCMBANKIN004162 |
dehydroaromadendrane |
|
C15H24 |
204.35 |
|
|
TCMBANKIN004163 |
Caryophyleine-(I3) |
caryophyleine-(I3) |
|
204.39 |
|
|
TCMBANKIN004202 |
Pranferol |
4-[(2R)-2-hydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one; 4-[(2R)-2-hydroxy-3-methylbutoxy]-7-furo[3,2-g]chromenone; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2-hydroxy-3-methylbutoxy)-, (-)-; 14685-06-4; 4-[(2R)-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one |
C16H16O5 |
288.3 |
CC(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
|
TCMBANKIN004210 |
1-methoxy-2-hydroxyanthraquinone |
Anthraquinone, 2-hydroxy-1-methoxy-; Alizarin-1-methylether; 2-Hydroxy-1-methoxy-anthraquinone; AIDS098147; Alizarin-1-methyl ether; 2-hydroxy-1-methoxy-anthracene-9,10-dione; 9,10-Anthracenedione, 2-hydroxy-1-methoxy-; 2-hydroxy-1-methoxy-9,10-anthraquinone; 6170-06-5; Alizarin 1-methyl ether; AIDS-098147; 2-hydroxy-1-methoxyanthracene-9,10-dione |
C15H10O4 |
254.24 g/mol |
COC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)O |
|
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 |
|
TCMBANKIN004446 |
cis,trans-4,5-Diethyl-3,5-octadiene |
3,5-Octadiene, 4,5-diethyl-, (E,Z)-; (3E,5Z)-4,5-diethylocta-3,5-diene; NSC244867; 21293-02-7; 4,5-DIETHYL-3,5-OCTADIENE (TRANS,CIS) |
C12H22 |
166.3 |
CCC=C(CC)C(=CCC)CC |
|
TCMBANKIN004547 |
isolinalyl acetate |
|
C12H20O2 |
196.29 g/mol |
CC(=C)CCCC(C)(C=C)OC(=O)C |
|
TCMBANKIN004570 |
n-butyl-O-β-D-fruct opyranoside |
n-butyl-O-β-D-fructopyranoside |
|
222.27 |
|
|
TCMBANKIN004573 |
patchoulene |
Patchoulene |
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN004623 |
visamminol |
2,3-dihydro-4-hydroxy-2-7-methyl-5h-furo[3,2-g][1]benzopyran-5-one; 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one; AC1NSSV1; Visamminol; CTK8I8620; SCHEMBL15536844; 492-52-4; C17838 |
C15H16O5 |
276.28 |
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)O |
|
TCMBANKIN004688 |
deoxyartemisinin |
|
C15H22O4 |
266.33 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(O4)C)C |
|
TCMBANKIN004704 |
1-alpha-Terpinyl acetate |
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 |
C12H20O2 |
196.29 |
CC1=CCC(CC1)C(C)(C)OC(=O)C |
|
TCMBANKIN004753 |
Michelenolide |
C09506; michelenolide; 66392-96-9 |
C15H20O4 |
264.32 |
CC12CCC3C(C4C(O4)(CCC1O2)C)OC(=O)C3=C |
|
TCMBANKIN004782 |
(6S)-2-methyl-6-[(1R)-4-methyl-1-cyclohexa-2,4-dienyl]hept-2-en-4-one |
|
C15H22O |
218.33 |
|
|
TCMBANKIN004792 |
gamma-Terpineol |
4-isopropylidene-1-methyl-cyclohexan-1-ol; 586-81-2; 1-Methyl-4-(1-methylethylidene)cyclohexan-1-ol; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-; 4-isopropylidene-1-methyl-1-cyclohexanol; TERPINEOL, GAMMA; .gamma.-Terpineol; EINECS 209-584-3; 1-methyl-4-propan-2-ylidene-cyclohexan-1-ol; 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
C10H18O |
154.25 |
CC(=C1CCC(CC1)(C)O)C |
|
TCMBANKIN004817 |
InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H |
|
C15H24 |
204.35 |
|
|
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 |
|
|
TCMBANKIN004874 |
Suberogorgin |
suberogorgin; (3R,8aS)-1-Oxo-3beta,5aalpha,8alpha-trimethyl-1,2,3,3abeta,4,5,5a,8-octahydrocyclopenta[c]pentalene-7-carboxylic acid; CHEMBL453238; Subergorgic acid |
C15H20O3 |
248.32 |
CC1CC(=O)C23C1CCC2(C=C(C3C)C(=O)O)C |
|
TCMBANKIN004875 |
(2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
(2R,3S,4S,5R)-2-ethoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol |
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN004909 |
2-[(2R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN004963 |
(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
(4aR,7aS)-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
C9H12O3 |
168.19 |
|
|
TCMBANKIN005010 |
qinghaosu i |
|
C13H18O2 |
206.28 |
|
|
TCMBANKIN005060 |
[1R-(1.alpha.,3a.beta.,4.alpha.,8a.beta.,9S)]-decahydro-1,5,5,8a-tetramethyl-1,4-Methanoazulen-9-ol |
|
|
222.41 |
|
|
TCMBANKIN005072 |
Secobarbital |
|
C12H18N2O3 |
238.28 g/mol |
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|
TCMBANKIN005090 |
7-hydroxy-8-(2-hydroxyethyl)coumarin |
7-hydroxy-8-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-8-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
TCMBANKIN005164 |
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
208.24 |
|
|
TCMBANKIN005241 |
cis-2,8-Menthadien-1-ol |
7212-40-0; (1R,4R)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), cis; 4017-73-6; 22972-52-7; 26767-56-6; trans-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; (1R,4R)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; EINECS 230-595-4; trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN005255 |
DEP |
NSC8905; o-Bis(ethoxycarbonyl)benzene; 68988-18-1; W512206_ALDRICH; EINECS 201-550-6; 48561_SUPELCO; Anozol; Diethyl phthalate; Diethyl Phthalate [USAN]; PHTHALIC ACID,DIETHYL ESTER; NCGC00090974-03; Unimoll DA; EINECS 273-520-0; WLN: 2OVR BVO2; C14175; diethyl benzene-1,2-dicarboxylate; RCRA waste no. U088; o-Benzenedicarboxylic acid, diethyl ester; Solvanol; NCI-C60048; AI3-00329; 1,2-Benzenedicarboxylic acid, diethyl ester; CCRIS 2675; 4-09-00-03172 (Beilstein Handbook Reference); 1,2-Benzenedicarboxylic acid, di-C4-13-alkyl esters; NCGC00090974-01; Diethyl o-phthalate; 524972_ALDRICH; HSDB 926; Diethylphthalate; o-Benzenedicarboxylic acid diethyl ester; Estol 1550; Neantine; NSC 8905; ST5406385; DPX-F5384; ZINC00001287; Palatinol A; Phthalsaeurediaethylester; Phthalsaeurediaethylester [German]; CHEBI:34698; D03804; 84-66-2; Diethyl phthalate/dimethyl phthalate; BRN 1912500; 53008_FLUKA; RCRA waste number U088; NCGC00090974-02; InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H; Phthalic acid, diethyl ester; Placidol E; Diethyl 1,2-benzenedicarboxylate; Phthalol; Diethyl o-phenylenediacetate; benzene-1,2-dicarboxylic acid diethyl ester; W517909_ALDRICH; 80080_FLUKA; Ethyl phthalate; Di-n-ethyl phthalate; Diethylester kyseliny ftalove [Czech]; Diethyl phthalate (NF) |
C6H4(COOC2H5)2 |
222.24 g/mol |
CCOC(=O)C1=CC=CC=C1C(=O)OCC |
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005367 |
(4aS,7R)-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one |
(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one |
C15H20O |
216.32 |
|
|
TCMBANKIN005371 |
2-oxo-calarene |
|
|
250.37 |
|
|
TCMBANKIN005404 |
Hippeastrine |
BPBio1_000847; STOCK1N-52692; BSPBio_000769; NSC731436; Lycorenan-7-one, 5-hydroxy-1-methyl-9,10-(methylenebis(oxy))-, (5alpha)-; 30803-79-3; hippeastrine; C08528; 477-17-8; Prestwick3_000675 |
C17H17NO5 |
315.32 |
CN1CCC2=CC(C3C(C21)C4=CC5=C(C=C4C(=O)O3)OCO5)O |
|
TCMBANKIN005416 |
β-oplopenone |
beta-oplopenone |
C15H24O |
220.35 |
CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C |
|
TCMBANKIN005528 |
methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate |
(Z)-3-(3,4,5-trimethoxyphenyl)acrylic acid methyl ester; (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid methyl ester; 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester, cis |
C13H16O5 |
252.26 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC |
|
TCMBANKIN005557 |
humulene epoxide |
|
C15H24O |
220.35 g/mol |
CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C |
|
TCMBANKIN005658 |
d-Dihydrocarvone |
Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2theta-trans)-; EINECS 226-872-4; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-; 5524-05-0; 5948-04-9; (2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-one; trans-2-Methyl-5-(1-methylethenyl)cyclohexanone; ZINC00967816; LMPR01020081; (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one; p-MENTH-8-EN-2-ONE, E-; (1R,4R)-Dihydrocarvone; (E)-dihydrocarvone; C11398; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-; (2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
C10H16O |
152.23 |
CC1CCC(CC1=O)C(=C)C |
|
TCMBANKIN005707 |
Calamendiol |
calamendiol |
C15H26O2 |
238.37 g/mol |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN005796 |
secologanic acid_qt |
|
|
212.22 |
|
|
TCMBANKIN005807 |
trans-3,5-dimethyl-1,6-octadien |
|
|
138.28 |
|
|
TCMBANKIN005810 |
2-oxostenine |
|
C17H25NO3 |
291.39 |
CCC1C2CCCCN3C2C(CC3=O)C4C1OC(=O)C4C |
|
TCMBANKIN005897 |
1,2,3,6-tetramethyldicyclo[2.2.2]oct-2-ene |
|
|
164.32 |
|
|
TCMBANKIN005905 |
Dicumene |
NSC34859; (1,1,2-trimethyl-2-phenylpropyl)benzene; AI3-23740; NSC 34859; (2,3-dimethyl-3-phenylbutan-2-yl)benzene; alpha,alpha'-Dicumyl; Butane, 2,3-dimethyl-2,3-diphenyl-; Bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-; 1,1'-(1,1,2,2-Tetramethylethylene)dibenzene; .alpha.,.alpha.'-Dicumyl; (2,3-dimethyl-3-phenyl-butan-2-yl)benzene; ST5406072; 1889-67-4; Bibenzyl, alpha,alpha,alpha',alpha'-tetramethyl- (8CI); (1,1,2-trimethyl-2-phenyl-propyl)benzene; EINECS 217-568-2; 2,3-Dimethyl-2,3-diphenylbutane; Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- |
C18H22 |
238.37 |
CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2 |
|
TCMBANKIN005952 |
geniposidie acid_qt |
Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt |
C16H22O10 |
374.34 |
|
|
TCMBANKIN005956 |
1-Asarinine |
Spectrum2_000811; KBio2_004604; 133-03-9; ACon1_000986; Spectrum4_001725; KBio3_002243; KBio2_002036; TNP00112; SDCCGMLS-0066831.P001; KBio2_007172; KBio1_001998; Spectrum5_000490; SpecPlus_000958; Spectrum3_001162; Spectrum_001556; BSPBio_002743; KBioGR_002110; SPECTRUM1504180; KBioSS_002036; 5-[(1R,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; NSC 31773; AI3-21202; DivK1c_007054; MEGxp0_001224; 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (+)-; SPBio_000701; AI3-00810; 133-05-1; NCGC00017230-01; 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis-, (1alpha,3a alpha,4beta,6a alpha)- |
C20H18O6 |
354.35 |
C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
|
TCMBANKIN005960 |
STOCK1N-53032 |
|
C18H19NO3 |
297.35 |
|
|
TCMBANKIN005986 |
2-Methyl-N-phenylmaleimide |
337765_ALDRICH; 3-methyl-1-phenylpyrrole-2,5-dione; 3-methyl-1-phenyl-3-pyrroline-2,5-quinone; A0177/0007996; EU-0050672; 3-methyl-1-phenyl-pyrrole-2,5-dione; ZINC00058465 |
C10H10O2 |
162.19 |
CC1=CC(=O)N(C1=O)C2=CC=CC=C2 |
|
TCMBANKIN006011 |
Methyl veratrate |
EINECS 218-424-1; 3,4-Dimethoxybenzoic acid methyl ester; Veratric acid, methyl ester (8CI); Veratric acid, methyl ester; 2150-38-1; 197955_ALDRICH; InChI=1/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H; Benzoic acid, 3,4-dimethoxy-, methyl ester; ST5406427; NSC 15668; Methyl 3,4-dimethoxybenzoate; AI3-20957; NSC15668; ZINC00406991; methyl veratrate |
C10H12O4 |
196.2 |
COC1=C(C=C(C=C1)C(=O)OC)OC |
|
TCMBANKIN006022 |
1,2-Cyclohexanediol,1-methyl-4-(1-methylethyl) |
|
C10H20O2 |
172.26 g/mol |
CC(C)C1CCC(C(C1)O)(C)O |
|
TCMBANKIN006041 |
diisopro-penyl methyl vinyl cyclohexane2 |
|
|
204.39 |
|
|
TCMBANKIN006116 |
Adoxosidic acid_qt |
|
|
213.23 |
|
|
TCMBANKIN006130 |
cis-p-2-menthen- 1-ol |
4beta-tert-Butyl-2-cyclohexen-1beta-ol; (1R,4S)-4-tert-butyl-1-cyclohex-2-enol; (1R,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-; (1R,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; cis-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; cis-p-2-menthen-1-ol; (1R,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-; cis-p-2-Menthen-1-ol; cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol; EINECS 249-860-0; AC1O5388; (1R,4S)-4-tert-butylcyclohex-2-en-1-ol; NGXNAIZTJAUMGV-BDAKNGLRSA-N; 29803-82-5 |
C10H18O |
154.25 g/mol |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN006143 |
reptoside_qt |
|
C17H26O10 |
390.38 |
|
|
TCMBANKIN006201 |
elymoclavine |
|
C16H18N2O |
254.33 |
CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
|
TCMBANKIN006234 |
Dehydrovomifoliol |
15764-81-5; ZINC00057359; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone; C02533; dehydrovomifoliol; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
C13H18O3 |
222.28 |
CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C |
|
TCMBANKIN006243 |
3,3-Dimethylbutylamine |
3,3-DIMETHYLBUTANAMINE; EINECS 223-353-4; 59367-75-8; 15673-00-4; 3,3-dimethylbutan-1-amine; 1-butanamine, 3,3-dimethyl-; 1,2,2-Trimethylpropylamine; EINECS 239-749-5; 183113_ALDRICH; InChI=1/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H |
C6H15N |
101.19 |
CC(C)(C)CCN |
|
TCMBANKIN006258 |
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinylcyclohexene |
(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene; (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-yl-cyclohexene; (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene |
C15H24 |
204.35 |
|
|
TCMBANKIN006293 |
3,3,5-trimethylheptane |
|
C10H22 |
142.28 |
CCC(C)CC(C)(C)CC |
|
TCMBANKIN006367 |
1,1-dimethylbutylbenzene |
1985-57-5; Benzene, (1,1-dimethylbutyl)-; 2-methylpentan-2-ylbenzene; (1,1-Dimethylbutyl)benzene; NSC245057 |
C12H18 |
162.27 g/mol |
CCCC(C)(C)C1=CC=CC=C1 |
|
TCMBANKIN006372 |
()-alpha-Longipinene |
(1R,2S,7R,8R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02.8]undec-9-ene; 62638_FLUKA |
|
204.39 |
|
|
TCMBANKIN006375 |
7-Acetoxy-2-methylisoflavone |
STOCK1N-08402; Oprea1_280944; acetic acid (2-methyl-4-oxo-3-phenyl-7-chromenyl) ester; acetic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester; 3211-63-0; 7-acetoxy-2-methylisoflavone; SMR000387028; ZINC00189892; Oprea1_018493; MLS001049043; NSC108339; (2-methyl-4-oxo-3-phenylchromen-7-yl) acetate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) ethanoate; (2-methyl-4-oxo-3-phenyl-chromen-7-yl) acetate |
C18H14O4 |
294.3 |
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3 |
|
TCMBANKIN006471 |
1-oxaspiro-[2,5]octane,5,5-dimethyl-4-(3-methyl-1,3-butadienyl |
|
|
206.36 |
|
|
TCMBANKIN006472 |
(3R,5S)-3,5-dimethyltetrahydrofuran-2-one |
(3R,5S)-3,5-dimethyloxolan-2-one; (3R,5S)-3,5-dimethyl-2-tetrahydrofuranone; InChI=1/C6H10O2/c1-4-3-5(2)8-6(4)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s |
C6H10O2 |
114.14 g/mol |
CC1CC(OC1=O)C |
|
TCMBANKIN006507 |
oxidized aristolane A |
|
|
234.37 |
|
|
TCMBANKIN006531 |
beta-Isosparteine |
7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7abeta,14alpha,14abeta))-; Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine (7S-(7alpha,7abeta,14alpha,14abeta))-; InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H; 7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-; 24915-04-6; (-)-beta-Isosparteine; 446-95-7 |
C15H26N2 |
234.38 |
C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
|
TCMBANKIN006575 |
Epi-bicyclosesauiphellandrene |
(+)-Epi-bicyclosesqulphellandrene |
C15H24 |
204.35 |
|
|
TCMBANKIN006581 |
(-)-angelicoidenol-2-o-beta-apiofuranosyl-(1-6)-beta-d-glucopyranoside_qt |
|
|
170.28 |
|
|
TCMBANKIN006587 |
(-)-angelicoidenol-2-O-β-D-glucopyranoside_qt |
|
|
200.36 |
|
|
TCMBANKIN006642 |
[2-[1-(acetoxymethyl)vinyl]-5-methyl-phenyl] (E)-2-methylbut-2-enoate |
[2-(3-acetyloxyprop-1-en-2-yl)-5-methyl-phenyl] (E)-2-methylbut-2-enoate; [2-(3-acetyloxyprop-1-en-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate; (E)-2-methylbut-2-enoic acid [2-[1-(acetoxymethyl)vinyl]-5-methylphenyl] ester; acetic acid 2-[4-methyl-2-[(E)-2-methylbut-2-enoyl]oxy-phenyl]prop-2-enyl ester |
|
288.37 |
|
|
TCMBANKIN006672 |
arnicolide C |
arnicolide c |
C19H26O5 |
334.41 |
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(C)C |
|
TCMBANKIN006682 |
Tangshenoside II_qt |
|
|
210.25 |
|
|
TCMBANKIN006711 |
sinapic acid |
A829376; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylate; ST5308240; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13; 85429_FLUKA; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-; 3,5-Dimethoxy-4-hydroxycinnamic acid; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; ZB005508; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-; C00482; sinapicacid; 49508_FLUKA; MLS001066354; Sinapic acid; SXX; 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; 3,5-dimethoxy-4-hydroxycinnamic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; trans-sinapate; AIDS024970; (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate; AC1NUT1R; NSC59261; (E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; CHEBI:30023; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; Synapoic acid; SINAPINATE; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 530-59-6; AIDS-024970; D7927_SIGMA; SMR000471879; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; CHEBI:15714; CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3; 7362-37-0; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3,5-dimethoxy-4-hydroxycinnamate; 4-hydroxy-3,5-dimethoxycinnamate |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
|
TCMBANKIN006735 |
Oleoside dimethyl ester_qt |
|
C18H26O11 |
418.39 |
|
|
TCMBANKIN006753 |
(1S,4S)-1-isopropyl-4-methyl-3-bicyclo[3.1.0]hexanone |
(1S,4S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one; (1S,4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one; (1S,4S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one |
C10H16O |
152.23 |
|
|
TCMBANKIN006754 |
MLT |
NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 |
C4H6O5 |
134.09 |
C(C(C(=O)O)O)C(=O)O |
|
TCMBANKIN006833 |
Oxophorone |
ZINC03881445; 3,5,5-Trimethyl-2-cyclohexene-1,4-dione; 2,6,6-trimethylcyclohex-2-ene-1,4-quinone; 92410_FLUKA; BB_NC-0299; 6-Oxoisophorone; FEMA No. 3421; keto-Isophorone; ST5307762; 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-; 4-Oxo-alpha-isophorone; 329517_ALDRICH; 1125-21-9; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione; EINECS 214-406-2; Oxopholone; 2,6,6-Trimethylcyclohex-2-ene-1,4-dione; InChI=1/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H; Ketoisophorone; 4-Oxoisophorone; W342106_ALDRICH |
C9H12O2 |
152.19 |
CC1=CC(=O)CC(C1=O)(C)C |
|
TCMBANKIN006846 |
khusilic acid |
|
C14H18O2 |
218.29 |
C=CC1CCC(=C)C2C1C=C(CC2)C(=O)O |
|
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 |
|
TCMBANKIN006900 |
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate |
(1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester |
C17H26O10 |
390.38 |
|
|
TCMBANKIN006905 |
alpha-amorphene |
α-amorphene |
C15H24 |
204.35 |
|
|
TCMBANKIN006917 |
danshenspiroketallactoneii |
|
C17H16O3114 |
286.4 |
|
|
TCMBANKIN006930 |
β-guaiene |
beta-guaiene; (+)-β-Guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN006960 |
ZINC05063142 |
[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol |
C15H26O |
222.37 |
|
|
TCMBANKIN006987 |
Gulutamine |
25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) |
C5H9NO4 |
147.13 g/mol |
C(CC(=O)O)C(C(=O)O)N |
|
TCMBANKIN007002 |
(1S,3aS,4S,7R,8aS)-7-isopropenyl-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
(1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
|
238.41 |
|
|
TCMBANKIN007146 |
InChI=1/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H |
|
C12H16N2O |
204.27 |
|
|
TCMBANKIN007205 |
Ambrosin |
ambrosin |
C15H18O3 |
246.3 |
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C |
|
TCMBANKIN007217 |
renifolin |
AC1NT00E; (2S,3R,4S,5S,6R)-2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
C18H24O7 |
352.38 |
CC1=CCC2=C(C=C(C(=C2C1)OC3C(C(C(C(O3)CO)O)O)O)C)O |
|
TCMBANKIN007287 |
sinodielides A |
|
|
232.35 |
|
|
TCMBANKIN007442 |
p-menth-4-en-3-one |
AN-19961; 5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one; 2-isopropyl-5-methyl-cyclohex-2-en-1-one; 5-methyl-2-propan-2-ylcyclohex-2-en-1-one; 2-Isopropyl-5-methyl-2-cyclohexen-1-one #; p-Menth-4-en-3-one; AC1L321A; 5-methyl-2-propan-2-yl-cyclohex-2-en-1-one; 5-methyl-2-isopropyl-2-cyclohexen1-one; SCHEMBL6360973; 2-isopropyl-5-methylcyclohex-2-enone; OAYBZGPDRAMDNF-UHFFFAOYSA-N; AC1Q6CEV; CTK1H2606; 5113-66-6; 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- |
C10H16O |
152.23 |
CC1CC=C(C(=O)C1)C(C)C |
|
TCMBANKIN007466 |
8-(3-methylbut-2-enyl)-2-phenyl-chromone |
8-(3-methylbut-2-enyl)-2-phenylchromen-4-one; 8-(3-methylbut-2-enyl)-2-phenyl-4-chromenone; 8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one |
|
290.38 |
|
|
TCMBANKIN007498 |
arnebinone |
|
C18H22O4 |
302.36 |
CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C |
|
TCMBANKIN007531 |
(2R,3R)-3-hydroxyproline |
(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid; (2R,3R)-3-hydroxy-2-pyrrolidinecarboxylic acid |
C5H9NO3 |
131.13 |
C1CNC(C1O)C(=O)O |
|
TCMBANKIN007587 |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)quinolin-2-one |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxo-but-3-enyl)quinolin-2-one; 3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-1-methyl-carbostyril; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)-2-quinolinone |
|
301.37 |
|
|
TCMBANKIN007618 |
(1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1R,5R)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1R,5R)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane; BB_NC-1492; (1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane |
C10H16 |
136.23 |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN007637 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
TCMBANKIN007850 |
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide |
SMR000008675; BAS 00342395; Benzamide, N-(2,5-dimethoxyphenyl)-4-methoxy-; N-(2,5-dimethoxyphenyl)-4-methoxy-benzamide; N-(2,5-Dimethoxy-phenyl)-4-methoxy-benzamide; Oprea1_081808; ZINC00335062; STK018033; Oprea1_488227; MLS000026764 |
C16H17NO4 |
287.31 g/mol |
COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC |
|
TCMBANKIN008068 |
Leptodactylone |
C09271; 8-hydroxy-5,7-dimethoxy-coumarin; 61899-44-3; 8-hydroxy-5,7-dimethoxychromen-2-one; 8-hydroxy-5,7-dimethoxy-2-chromenone; 8-hydroxy-5,7-dimethoxy-chromen-2-one |
C11H10O5 |
222.19 |
COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC |
|
TCMBANKIN008086 |
3-methoxyfuranoguaia-9- en-8-one |
|
|
260.36 |
|
|
TCMBANKIN008270 |
(4-allyl-2,6-dimethoxy-phenyl) 3-methylbutanoate |
3-methylbutyric acid (4-allyl-2,6-dimethoxy-phenyl) ester; (2,6-dimethoxy-4-prop-2-enyl-phenyl) 3-methylbutanoate; 3-methylbutanoic acid (4-allyl-2,6-dimethoxyphenyl) ester; (2,6-dimethoxy-4-prop-2-enylphenyl) 3-methylbutanoate |
|
278.38 |
|
|
TCMBANKIN008280 |
Xanthanoic acid |
NSC66208; Oprea1_658386; Xanthene-9-carboxylic acid; EINECS 201-394-9; 9H-Xanthene-9-carboxylic acid; Xanthenecarboxylic acid; RH 00001; 9H-Xanthene-9-carboxylic acid (9CI); Maybridge1_006340; NSC 66208; X406_ALDRICH; SR-01000640328-1; 82-07-5; 9-Xanthenecarboxylic acid |
C14H10O3 |
226.23 g/mol |
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O |
|
TCMBANKIN008312 |
ISOPULEGOL |
59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(C(C1)O)C(=C)C |
|
TCMBANKIN008386 |
Methyl atratate |
Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; CBDivE_016254; 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester; beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester; beta-Resorcylic acid, 3,6-dimethyl-, methyl ester; MLS000517295; SMR000127412; 136218-95-6; EINECS 225-193-0; 4707-47-5; Methyl-3-methylorsellinate; Methyl beta-orcinolcarboxylate; Evernyl; Atraric acid;; Methyl beta-orcinolcarboxylate; Methyl 3,6-dimethylresorcylate; ZINC00239015; Methyl 2,4-dihydroxy-3,6-dimethylbenzoate; 2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester; methyl 2,4-dihydroxy-3,6-dimethyl-benzoate; .beta.-Resorcylic acid, 3,6-dimethyl-, methyl ester; ST5408246; AIDS097062; AIDS-097062; W523305_ALDRICH |
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN008452 |
(E)-Linalol pyranoxide |
linalool oxide C (trans-THP); (3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; (E)-Linallol oxide (pyran) |
C21H44 |
296.57 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN008455 |
MBP |
Monobutyl phthalate; 2-butoxycarbonylbenzoic acid; 2-(butoxy-oxomethyl)benzoic acid; 1,2-Benzenedicarboxylic acid, monobutyl ester; Phthalic acid, monobutyl ester; NSC8479; 2-(butoxycarbonyl)benzoic acid; Mono-n-butyl phthalate; 131-70-4; Mono-n-butyl-phthalate; BRN 2051402; NSC 8479; 34-74-2; EINECS 205-036-2; Butyl hydrogen phthalate; AI3-01768 |
C12H14O4 |
222.24 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)O |
|
TCMBANKIN008612 |
(1S,2R,5S)-2,6,6-trimethylnorpinane |
(1S,2R,5S)-2,7,7-trimethylbicyclo[3.1.1]heptane |
C10H18 |
138.25 |
|
|
TCMBANKIN008633 |
Isodecanoic acid |
8-methylnonanoic acid; EINECS 247-673-9; 59139-37-6; LMFA01020247; AI3-05976; 8-methylpelargonic acid; 28933-59-7; KM 08721; Nonanoic acid, 8-methyl-; M5153_SIGMA; 8-methyl-nonanoic acid; 26403-17-8 |
C10H20O2 |
172.26 g/mol |
CC(C)CCCCCCC(=O)O |
|
TCMBANKIN008660 |
cis,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN008665 |
Methyl succinate |
DBE-4 dibasic ester; W239607_ALDRICH; ST5214542; CCRIS 4803; FEMA No. 2396; Dimethylsuccinate; 14150_FLUKA; Dimethyl succinate; butanedioic acid dimethyl ester; HSDB 5370; NCGC00091530-01; EINECS 203-419-9; NSC 52209; AI3-02480; 106-65-0; ZINC01683870; LS-406; Dimethyl butanedioate; Methyl butanedioate; Butanedioic acid, dimethyl ester; Succinic acid, dimethyl ester; NSC52209; 112755_ALDRICH; InChI=1/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H; succinic acid dimethyl ester |
C6H10O4 |
146.14 |
COC(=O)CCC(=O)OC |
|
TCMBANKIN008689 |
α-cyperene |
|
|
204.39 |
|
|
TCMBANKIN008720 |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(1,3-benzodioxol-5-yl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione |
|
340.4 |
|
|
TCMBANKIN008751 |
Cherianoine |
7-hydroxy-6,8-dimethoxy-2-methyl-isoquinolin-1-one; 7-hydroxy-6,8-dimethoxy-2-methyl-isocarbostyril; 7-hydroxy-6,8-dimethoxy-2-methylisoquinolin-1-one; cherianoine; 7-hydroxy-6,8-dimethoxy-2-methyl-1-isoquinolinone; AC1NSTIB |
C12H13NO4 |
235.24 g/mol |
CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC |
|
TCMBANKIN008870 |
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid |
2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-; 69188-40-5; (Z)-2-[[(Z)-2-methyl-1-oxobut-2-enoxy]methyl]but-2-enoic acid |
C10H14O4 |
198.22 |
CC=C(C)C(=O)OCC(=CC)C(=O)O |
|
TCMBANKIN008887 |
d-isomenthone |
EINECS 214-813-5; (2R,5R)-2-isopropyl-5-methyl-1-cyclohexanone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-; (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropyl-5-methylcyclohexanone; 18309-28-9; 1196-31-2; (2R,5R)-2-isopropyl-5-methyl-cyclohexan-1-one; (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone; ZINC03860577; (+)-Isomenthone; (1R,4R)-p-menthan-3-one; EINECS 242-194-1; C11952; LMPR01020096; (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one; (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; CHEBI:36492; (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one |
C10H18O |
154.25 |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN008904 |
cyclohexyl-methoxy-dimethylsilane |
cyclohexyl-methoxy-dimethyl-silane |
|
172.38 |
|
|
TCMBANKIN008919 |
isoguvacine |
MLS000859962; Isoguvacine hydrochloride, solid; I02-4338; SR-01000075611-3; 1,2,3,6-tetrahydro-4-pyridinecarboxylicacidhydrochloride; Lopac-G-002; G-002; SY012592; KBio1_000115; SMR000326821; 1,2,3,6-tetrahydropyridine-4-carboxylic acid; IDI1_000115; NCGC00093946-02; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride; Tocris-0235; EU-0100561; Isoguvacine (hydrochloride); ISOGUVACINE HYDROCHLORIDE; NINDS_000115; 68547-97-7; SUWREQRNTXCCBL-UHFFFAOYSA-N; HY-100810; NCGC00024509-03; NCGC00093946-03; NCGC00015456-01; SCHEMBL7958625; TRA0081918; B6230; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride; MFCD00055192; NCGC00024509-01; TR-022104; SPECTRUM1502129; Biomol-NT_000254; Isoguvacine; LP00561; SR-01000075611; KBio3_002820; FT-0670465; I0871; Spectrum_001974; SC-49605; C13694; AX8223448; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride; AKOS025243370; BPBio1_000882; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr; KBio2_007667; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-; KS-00000AIF; MolPort-003-983-601; CCG-221865; BSPBio_003318; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid; Lopac0_000561; AKOS015847455; NCGC00093946-01; 64603-90-3 (Parent); AK154352; 1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acidhydrochloride; Tox21_500561; BN0277; KBio2_002531; SC-49604; AC1L4DMR; 1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride; CS-6967; SR-01000075611-1; DTXSID00218663; 1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride; KBioSS_002540; KBio2_005099; CHEMBL540303; Spectrum3_001869; Z-2044; NCGC00261246-01; DivK1c_000115; Isoguvacine HCl; 1,2,5,6-tetrahydroisonicotinic acid hydrochloride |
C6H9NO2 |
127.14 |
C1CNCC=C1C(=O)O |
|
TCMBANKIN008927 |
Pinguisone |
CHEBI:8216; pinguisone; (4R,4aS,7R,7aS)-4,4a,7,7a-tetramethyl-4,6,7,8-tetrahydrocyclopenta[f][1]benzoxol-5-one; (4R,4aS,7R,7aS)-4,4a,7,7a-tetramethyl-4,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-5-one; 22489-40-3; AC1L9CQ5; (4R,4aS,7R,7aS)-4,4a,7,7a-tetramethyl-4,6,7,8-tetrahydrocyclopenta[f]benzofuran-5-one; DTXSID50331816; C09710 |
C15H20O2 |
232.32 |
CC1CC(=O)C2(C1(CC3=C(C2C)C=CO3)C)C |
|
TCMBANKIN008961 |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
|
166.24 |
|
|
TCMBANKIN008972 |
caryophyllenol |
|
C15H26O |
222.37 |
CC1(CC2C1CCC3(CCCC2(C3)O)C)C |
|
TCMBANKIN008994 |
(Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein |
(Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl), (Z)- |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=O |
|
TCMBANKIN009017 |
Threonin |
89179_FLUKA; 48: PN: WO2004076659 FIGURE: 7 claimed sequence; D00041; 13095-55-1; Threonine, L- (8CI); 7013-32-3; L-Threonin; (2S)-threonine; CHEBI:16857; Threonine (VAN); Treonina [Spanish]; THREONINE (L); Threoninum [Latin]; T8625_SIAL; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; 36676-50-3; Threonine (USP); (2S,3R)-2-Amino-3-hydroxybutyric acid; Threonine, labeled with carbon-14, L-; C00188; L-(U-14C)Threonine; L-Threonine (JP15); 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; NSC 16589; T8441_SIGMA; (S)-Threonine; Threonine [USAN:INN]; L-Threonine (9CI); EINECS 200-774-1; threonin; L-alpha-amino-beta-hydroxybutyric acid; (2S,3R)-2-amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; NSC 46701; (2S,3R)-2-amino-3-hydroxy-butanoic acid; T4071_SIAL; (2S,3R)-2-amino-3-hydroxy-butyric acid |
C4H9NO3 |
119.12 g/mol |
CC(C(C(=O)O)N)O |
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
TCMBANKIN009095 |
O-acetyl-β-boswellic acid |
|
|
498.82 |
|
|
TCMBANKIN009104 |
(1S,4aR,8aR)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
(1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN009126 |
D-Prolin |
AI3-26710; NCGC00163339-02; FEMA No. 3319; InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8; C00763; Proline [USAN:INN]; L-Pyrrolidine-2-carboxylic acid; (R)-pyrrolidine-2-carboxylic acid; NCI97923; NCIStruc2_000132; NCGC00163339-01; (S)-2-Pyrrolidinecarboxylic acid; Prolinum [Latin]; EINECS 205-702-2; HSDB 1210; (-)-2-Pyrrolidinecarboxylic acid; 858919_ALDRICH; (2R)-2-pyrrolidinecarboxylic acid; (2R)-pyrrolidine-2-carboxylic acid; PRO (IUPAC abbreviation); 81705_FLUKA; CB 1707; (2R)-proline; Proline (VAN); 7005-20-1; SBB006712; PROLINE (L); L-alpha-Pyrrolidinecarboxylic acid; CHEBI:16313; EINECS 206-452-7; Prolina [Spanish]; (L)-PROLINE; FEMA Number 3319; NSC 46703; NCIStruc1_001918 |
C5H9NO2 |
115.13 |
CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C |
|
TCMBANKIN009231 |
(3R,6S)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene |
(3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene; (3R,6S)-3-hydroperoxy-6-isopropenyl-3-methyl-cyclohexene |
|
168.26 |
|
|
TCMBANKIN009244 |
13657-68-6 |
Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))-; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione; 6-Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))- (9CI); Germacr-1(10)-ene-5,8-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
|
TCMBANKIN009248 |
9alpha-Hydroxyfraxinellone |
(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; 3-Furan-3-yl-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one; 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-6-hydroxy-3a,7-dimethyl-, (3R,3aR,6R)-; (3R,3aR,6R)-3-furan-3-yl-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; rel-(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one; InChI=1/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12+,14-/m1/s; (-)-(3R,3aR,6R)-3-(3'-Furanyl)-3a,7-dimethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one |
C14H14O4 |
246.26 |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
TCMBANKIN009282 |
O-benzoyl-L-(+)-pseudoephedrine |
o-benzoyl-l-(+)-pseudoephedrine; o-benzoyl-l- (+) -pseudoephedrine |
|
269.37 |
|
|
TCMBANKIN009297 |
2-methyl-butanol-1-ol |
|
|
104.17 |
|
|
TCMBANKIN009362 |
Coronaridine |
coronaridine; coronaridine |
C21H26N2O2 |
338.44 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
|
TCMBANKIN009420 |
Ethyl glucoside |
(2R,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; Glucoside, ethyl, D-; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol; 30285-48-4; beta-D-Glucopyranoside, ethyl; 3198-49-0; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; Ethyl D-glucoside; EINECS 250-112-0 |
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN009519 |
1-[(2S)-2-piperidyl]acetone |
1-[(2S)-2-piperidinyl]propan-2-one; 1-[(2S)-piperidin-2-yl]propan-2-one; 1-[(2S)-2-piperidyl]propan-2-one |
|
141.24 |
|
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009704 |
secologanin_qt |
Loniceroside_qt |
C10H11NS |
177.27 |
|
|
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 |
|
TCMBANKIN009903 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid_qt |
|
|
212.32 |
|
|
TCMBANKIN009906 |
cis-4-Hydroxy-L-proline |
56248_FLUKA; (2S,4S)-4-hydroxypyrrolidine-2-carboxylic acid; (2S,4S)-(−)-4-Hydroxy-2-pyrrolidinecarboxylic acid; C03441; (2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4S)-4-hydroxyproline; 618-27-9; H1637_SIGMA |
C5H9NO3 |
131.13 |
C1C(CNC1C(=O)O)O |
|
TCMBANKIN009958 |
(1R)-4-isopropenyl-1-methyl-1-cyclohex-3-enol |
3,8(9)-p-Menthadien-1-ol; (1R)-4-isopropenyl-1-methyl-cyclohex-3-en-1-ol; (1R)-1-methyl-4-prop-1-en-2-yl-cyclohex-3-en-1-ol; (1R)-1-methyl-4-prop-1-en-2-ylcyclohex-3-en-1-ol |
|
152.26 |
|
|
TCMBANKIN009966 |
Isooctane |
34862_SIAL; ISO-OCTANE; c1078; 34499_RIEDEL; 32291_RIEDEL; BRN 1696876; Pentane, 2,2,4-trimethyl-; NSC39117; 59045_FLUKA; 2,2,4-Trimethylpentane; InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H; WLN: 1Y1&1X1&1&1; EINECS 208-759-1; 4-01-00-00439 (Beilstein Handbook Reference); 59030_FLUKA; 258776_ALDRICH; Isobutyltrimethylmethane; 31921-36-5; 360597_SIAL; 2,4,4-Trimethylpentane; 650439_ALDRICH; 59041_FLUKA; 360066_ALDRICH; HSDB 5682; 540-84-1; 155012_SIAL; AI3-23976; NSC 39117 |
C8H18 |
114.23 |
CC(C)CC(C)(C)C |
|
TCMBANKIN009979 |
Dimethyldiethoxysilane |
BRN 1736110; Diethoxy(dimethyl)silane; NSC 77085; diethoxy-dimethyl-silane; diethoxy-dimethylsilane; 175595_ALDRICH; Dimethyl-diethoxysilan [Czech]; 202756-41-0; Diethoxydimethylsilane; 40120_FLUKA; 78-62-6; Dimethyldiethoxysilane [UN2380] [Flammable liquid]; InChI=1/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H; Dimethyl-diethoxysilan; CCRIS 1321; EINECS 201-127-6; NSC77085; Silane, diethoxydimethyl-; KBE 22; Dimethylsilicondiethoxide; UN2380; SILANE,DIETHOXY,DIMETHYL; WLN: 2O-SI-1&1&O2; 4-04-00-04101 (Beilstein Handbook Reference) |
C6H16O2Si |
148.28 |
CCO[Si](C)(C)OCC |
|
TCMBANKIN009992 |
7-O-methylisomucronulatol |
7-o-methylisomucronulatol; 7-o-methyl isomucronulatol |
C18H20O5 |
316.3 g/mol |
COC1=CC2=C(CC(CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1 |
|
TCMBANKIN010003 |
(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid |
(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid |
C13H14N2O2 |
230.26 |
|
|
TCMBANKIN010043 |
Bicyclo[2.2.2]octa-2,5-diene, 1,2,3,6-tetramethyl- |
|
C12H18 |
162.27 g/mol |
CC1=CC2CCC1(C(=C2C)C)C |
|
TCMBANKIN010187 |
loganic acid_qt |
|
C16H24O10 |
376.36 |
|
|
TCMBANKIN010223 |
1,3-furanoeudesma-diene |
|
|
228.36 |
|
|
TCMBANKIN010237 |
camphorene |
|
|
272.52 |
|
|
TCMBANKIN010240 |
betea-CUBEBENE |
|
C15H24 |
204.35 |
|
|
TCMBANKIN010280 |
[(2R,4R)-4-acetyloxypentan-2-yl] acetate |
[(2R,4R)-4-acetyloxypentan-2-yl] ethanoate; acetic acid [(1R,3R)-3-acetoxy-1-methylbutyl] ester; acetic acid [(1R,3R)-3-acetoxy-1-methyl-butyl] ester; [(1R,3R)-3-acetoxy-1-methyl-butyl] acetate |
C9H16O4 |
188.22 |
|
|
TCMBANKIN010550 |
1,3,3-Trimethyl-2-(2-methyl-cyclo-propyl)-cyclohexene |
|
C13H22 |
178.31 g/mol |
CC1CC1C2=C(CCCC2(C)C)C |
|
TCMBANKIN010573 |
incensole,acetate |
|
C22H36O3 |
348.52 |
|
|
TCMBANKIN010629 |
junipene |
longifolene; (+)-longifolene |
C15H24 |
204.35 |
CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
|
TCMBANKIN010652 |
8-epiloganin_qt |
|
|
228.27 |
|
|
TCMBANKIN010818 |
N-Methylflindersine |
2,2,6-Trimethyl-2H,5H-pyrano[3,2-c]quinolin-5-one; NSC347659; MolPort-039-338-565; CHEMBL400130; SMR001874966; 2,2,6-trimethylpyrano[5,6-c]quinolin-5-one; 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-; AKOS028108463; 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-; 4CN-2980; 2,2,6-Trimethyl-2H,5H-pyrano(3,2-c)quinolin-5-one; 2,2,6-trimethyl-5-pyrano[5,6-c]quinolinone; 2,6-Dihydro-2,2,6-trimethyl-5H-pyrano(3,2-c)quinolin-5-one; AC1L2IQN; 2,2,6-trimethylpyrano[3,2-c]quinolin-5-one; C10731; ZINC900263; NSC-347659; NSC 347659; AC1Q2CW2; MLS003171057; CTK4J2456; n-methylflindersine; RJZFGBNKPOVCHQ-UHFFFAOYSA-N; 2,2,6-Trimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one #; CHEBI:7315; DTXSID40198374; 50333-13-6 |
C15H15NO2 |
241.29 |
CC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C |
|
TCMBANKIN010876 |
uttroside a_qt |
8-O-acetyl shanzhiside methyl ester_qt |
C19H28O12 |
448.42 |
|
|
TCMBANKIN010973 |
chrysanthediol A |
|
|
236.39 |
|
|
TCMBANKIN011010 |
1-methyl-5-isopropenyl cyclohexene |
1-methyl-5-(1-methylethenyl)-cyclohexene |
C10H16 |
136.23 |
CC1=CCCC(C1)C(=C)C |
|
TCMBANKIN011017 |
decahydro-2,2,4,8-tetramethyl-4,8-methano-azulen-9-ol |
|
|
222.41 |
|
|
TCMBANKIN011028 |
desmodimiine |
|
|
237.28 |
|
|
TCMBANKIN011109 |
nootkatene |
|
C15H22 |
202.34 |
CC1CC=CC2=CCC(CC12C)C(=C)C |
|
TCMBANKIN011293 |
Butyl isovalerate |
n-Butyl isopentanoate; EINECS 203-654-7; HSDB 6383; Butyl isovalerianate; n-Butyl 3-methylbutanoate; NSC6187; W221813_ALDRICH; 42580_FLUKA; 59858_FLUKA; 1-Butyl isovalerate; 3-methylbutanoic acid butyl ester; Butanoic acid, 3-methyl-, butyl ester; FEMA No. 2218; AI3-33584; 3-02-00-00698 (Beilstein Handbook Reference); Isovaleric acid, butyl ester; n-Butyl isovalerate; W221805_ALDRICH; WLN: 4OV1Y1 & 1; NSC 6187; 109-19-3; Butyl isopentanoate; Butyl 3-methylbutanoate; 3-methylbutyric acid butyl ester; BRN 1752803; Butyl isovalerate (natural); Butyl 3-methylbutyrate |
C9H18O2 |
158.24 |
CCCCOC(=O)CC(C)C |
|
TCMBANKIN011319 |
germacrene |
germacrene d; Germacrene-D |
C15H24 |
204.35 |
CC1=CCCC(=CCC(CC1)C(=C)C)C |
|
TCMBANKIN011366 |
ZINC02166569 |
(3R,5S)-3,5-dimethyloctan-4-one |
C10H20O |
156.27 |
|
|
TCMBANKIN011467 |
isodalbergin |
ZINC13339734; 7-hydroxy-6-methoxy-4-phenylchromen-2-one; AC1NSWZQ; 7-hydroxy-6-methoxy-4-phenyl-coumarin; 7-Hydroxy-6-methoxy-4-phenylcoumarin; Isodalbergin; 7-hydroxy-6-methoxy-4-phenyl-2-chromenone; LMPK12100007; 7-hydroxy-6-methoxy-4-phenyl-chromen-2-one; 605-09-4 |
C16H12O4 |
268.26 g/mol |
COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O |
|
TCMBANKIN011487 |
(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone |
(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one |
C21H26O5 |
358.43 |
|
|
TCMBANKIN011530 |
473-08-5 |
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-; (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; (4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone; (4aS,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
C15H22O |
218.33 |
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C |
|
TCMBANKIN011602 |
NPG |
AIDS-017551; Neopentanediol; 1,3-Propanediol, 2,2-dimethyl-; Neopentylglycol; AIDS017551; WLN: Q1X1 & 1 & 1Q; Neopentylene glycol; AI3-05739; CBDivE_004836; 126-30-7; 4-01-00-02551 (Beilstein Handbook Reference); 2,2-Dimethylpropane-1,3-diol; ZINC00388175; Propanediol, 2,2-dimethyl-, 1,3-; 111109-35-4; NSC 55836; NSC55836; 2,2-Dimethyltrimethylene glycol; EINECS 204-781-0; 2,3-Dimethyl-1,3-propanediol; Dimethylolpropane; 41510_FLUKA; 2,2-Dimethyl-1,3 propanediol; Hydroxypivalyl alcohol; Neol; 2,2-DIMETHYL-1,3-PROPANEDIOL; NSC6366; InChI=1/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H; 538256_ALDRICH; BRN 0605291; Neopentyl glycol; NPG Glycol; Dimethyltrimethylene glycol |
C5H12O2 |
104.15 |
CC(C)(CO)CO |
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN011629 |
Isolapachol |
isolapachol |
C15H14O3 |
242.27 |
CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O |
|
TCMBANKIN011634 |
D-Serin |
EINECS 206-229-4; NSC 77689; InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7; NCGC00094363-04; AI3-18476; (2R)-2-amino-3-hydroxypropanoic acid; EU-0101088; 84970_FLUKA; (R)-2-Amino-3-hydroxypropionic acid; BPBio1_001226; NCGC00094363-03; DL-Serine; AIDS071644; S4250_SIGMA; AIDS-071644; C00740; (R)-2-amino-3-hydroxypropanoic acid; SERINE (L); Biomol-NT_000197; Lopac0_001088; CHEBI:16523; Serine D-form |
C3H7NO3 |
105.09 |
C(C(C(=O)O)N)O |
|
TCMBANKIN011692 |
bisdehydroneostemonine |
|
C18H21NO4 |
315.36 |
CC1C2C(CCCN3C2=CC=C3)OC1=C4C(=C(C(=O)O4)C)OC |
|
TCMBANKIN011769 |
1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)- |
4567-33-3; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one |
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN011772 |
(3R,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione |
(3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
|
|
TCMBANKIN011806 |
Acetovanillin |
ZINC00166877; NSC25863; (4-methanoyl-2-methoxy-phenyl) ethanoate; Benzaldehyde, 4-(acetyloxy)-3-methoxy-; W310808_ALDRICH; 4-(Acetyloxy)-3-methoxybenzaldehyde; ST5213429; acetic acid (4-formyl-2-methoxyphenyl) ester; 4-Formyl-2-methoxyphenol acetate; Vanillin acetate; NSC 8499; O-Acetylvanillin; Acetylvanillin; (4-formyl-2-methoxyphenyl) acetate; Vanillin, acetate; 4736-37-2; 881-68-5; NSC 25863; Vanillin, acetate (8CI); 258601_ALDRICH; (4-formyl-2-methoxy-phenyl) acetate; 4-O-Acetylvanillin; acetic acid (4-formyl-2-methoxy-phenyl) ester; 4-Formyl-2-methoxyphenyl acetate; FEMA No. 3108; NSC8499; EINECS 212-920-1; 4-Acetoxy-3-methoxybenzaldehyde |
C10H10O4 |
194.18 |
CC(=O)OC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN011812 |
()-alpha-Funebrene |
47991_FLUKA; ()-1,7-Diepi-alpha-cedrene |
C15H24 |
204.35 |
|
|
TCMBANKIN011816 |
sinenofuranal |
|
|
236.39 |
CC1CCC2CC3(C1CCC3C=O)OC2(C)C |
|
TCMBANKIN011926 |
(1R,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-1-decalinol |
(1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol; (1R,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN011977 |
Clupanodonic acid |
(4E,8E,11E,15E)-octadeca-4,8,11,15-tetraenoic acid; clupanodonic acid; clupanodonicacid |
C22H34O2 |
330.5 |
CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O |
|
TCMBANKIN012015 |
beta-Bazzanene |
|
C15H24 |
204.35 |
CC1=CCC(CC1)(C)C2(CCCC2=C)C |
|
TCMBANKIN012123 |
cis-Piperitol |
cis-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; 16721-38-3; (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; (1R,6S)-6-isopropyl-3-methyl-1-cyclohex-2-enol; EINECS 240-775-4; (1R,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; 75363-64-3; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-; cis-piperitol; (1R,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC1=CC(C(CC1)C(C)C)O |
|
TCMBANKIN012291 |
n-butyl-α-D-fructopyranoside |
n butyl-α-D-fructopyranoside |
|
236.3 |
|
|
TCMBANKIN012322 |
Isoeleutherol glucosiden_qt |
|
|
244.26 |
|
|
TCMBANKIN012351 |
Schizonepetoside C_qt |
|
|
168.26 |
|
|
TCMBANKIN012381 |
plenolin |
(1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[7,6-d]furan-2,8-dione; 34257-95-9; C09531; (1S,3aR,5R,5aR,8aR,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione; Plenolin; AC1O3DU3; (1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[7,6-d]furan-2,8-quinone |
C15H20O4 |
264.32 g/mol |
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O |
|
TCMBANKIN012406 |
(-)-Methyl 2-methylbutyrate |
butanoic acid, 2-methyl-, methyl ester, (2R)-; 55449-44-0; (2R)-2-methylbutanoic acid methyl ester; Butanoic acid, 2-methyl-, methyl ester, (2R)- (9CI); (2R)-2-methylbutyric acid methyl ester; ZINC04521669; (-)-Methyl alpha-methylbutyrate; methyl (2R)-2-methylbutanoate; Methyl (R)-2-methylbutanoate; Butanoic acid, 2-methyl-, methyl ester, (R)- |
C6H12O2 |
116.16 |
CCC(C)C(=O)OC |
|
TCMBANKIN012499 |
3-methyl-3,4-divinyl-1-cyclohexene |
|
C11H16 |
148.24 g/mol |
CC1(C=CCCC1C=C)C=C |
|
TCMBANKIN012542 |
Stephanine |
517-63-5; stephanine; stephanine ; 1,2-methylenedioxy-8-methoxyaporphine; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)- |
C19H19NO3 |
309.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3 |
|
TCMBANKIN012596 |
1-methyl-3-propylcyclooctane |
|
C12H24 |
168.32 g/mol |
CCCC1CCCCCC(C1)C |
|
TCMBANKIN012611 |
(1R,4R,5S)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene |
(1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene; (1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene; (1R,4R,5S)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene |
|
204.39 |
|
|
TCMBANKIN012639 |
Cyclohexanone,2-butyl |
|
C10H18O |
154.25 g/mol |
CCCCC1CCCCC1=O |
|
TCMBANKIN012747 |
BHT-OH |
BRN 2050856; 2,6-ditert-butyl-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienone; 4-08-00-00142 (Beilstein Handbook Reference); 10396-80-2; 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadiene-1-one; 2,6-di(t-Butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroxy-4-methyl-; 2,6-Di-t-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone; 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one; 2,6-ditert-butyl-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-one |
C15H24O2 |
236.35 |
CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O |
|
TCMBANKIN012855 |
Salireposide_qt |
|
C20H22O9 |
406.38 |
|
|
TCMBANKIN012944 |
kuraranine |
isokuraramine |
C12H18N2O2 |
222.28 |
|
|
TCMBANKIN013033 |
2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromone |
ST056246; ZINC00057755; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxychromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one; 2-(2,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromenone |
C18H16O6 |
328.32 |
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=C(C=C(C=C3)OC)OC)O |
|
TCMBANKIN013042 |
cichorioside B_qt |
|
|
278.33 |
|
|
TCMBANKIN013121 |
1-methoxyindole-3-carbaldehyde |
NSC708490; 1-methoxy-3-indolecarboxaldehyde; NCI60_038422 |
C10H9NO2 |
175.18 g/mol |
CON1C=C(C2=CC=CC=C21)C=O |
|
TCMBANKIN013215 |
1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione |
1-methyl-8,9-dihydro-7H-naphtho[5,6-g][1]benzoxole-6,10,11-trione |
C17H12O4 |
280.27 |
|
|
TCMBANKIN013320 |
Paniculide C |
paniculide c |
C15H18O5 |
278.3 |
CC(=CCCC1=C2C(CC3(C(C2=O)O3)CO)OC1=O)C |
|
TCMBANKIN013324 |
pranferin |
|
|
318.4 |
|
|
TCMBANKIN013348 |
Ajugoside_qt |
ajugoside_qt |
C17H26O10 |
390.38 |
|
|
TCMBANKIN013389 |
Acetisoeugenol |
(2-methoxy-4-prop-1-enyl-phenyl) acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-; Isoeugenylacetate; acetic acid (2-methoxy-4-prop-1-enyl-phenyl) ester; 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate; SMR000105317; (2-methoxy-4-prop-1-enylphenyl) acetate; 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene; acetic acid (2-methoxy-4-prop-1-enylphenyl) ester; AI3-24267; WLN: 2U1R CO1 DOV1; 4-Acetoxy-3-methoxy-1-propenylbenzene; Isoeugenol acetate; MLS000563467; W247006_ALDRICH; 2-Methoxy-4-propenylphenyl acetate; Acetyl isoeugenol; 93-29-8; ZINC00393724; NSC 46121; (2-methoxy-4-prop-1-enyl-phenyl) ethanoate; 2-Methoxy-4-prop-1-enylphenyl acetate; ST5409307; FEMA No. 2470; acetic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester; Acetylisoeugenol; Isoeugenol, acetate; [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate; isoeugenyl acetate 1; [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ethanoate; EINECS 202-236-1; NSC46121; 2-Methoxy-4-(1-propenyl)phenyl acetate; Isoeugenyl acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate; Phenol, 2-methoxy-4-propenyl-, acetate |
C12H14O3 |
206.24 |
CC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN013416 |
2,2-Dimethylcyclopentylcyclohexane |
|
C13H24 |
180.33 |
CC1(CCCC1C2CCCCC2)C |
|
TCMBANKIN013437 |
Demethylfuropinnarin |
MLS002472907; AC1NSUCW; CHEMBL1734870; HMS2267F11; SMR001397018; demethylfuropinnarin; 9-(1,1-dimethylprop-2-enyl)-4-hydroxy-furo[3,2-g]chromen-7-one; 9-(1,1-dimethylprop-2-enyl)-4-hydroxy-7-furo[3,2-g]chromenone; 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one; demthyl furopinnarin |
C16H14O4 |
270.28 g/mol |
CC(C)(C=C)C1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2 |
|
TCMBANKIN013489 |
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
SMR000156216; (8S)-8-(1-hydroxy-1-methyl-ethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)-; MLS000574835; 3804-70-4; (8S)-8-(1-hydroxy-1-methylethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
|
TCMBANKIN013522 |
Norlapachol |
NSC26696; AIDS-188140; 15297-99-1; 1,4-Naphthalenedione, 2-hydroxy-3-(2-methyl-1-propenyl)-; AIDS188140; 4-hydroxy-3-(2-methylprop-1-enyl)naphthalene-1,2-dione; 2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthoquinone; 4-hydroxy-3-(2-methylprop-1-enyl)-1,2-naphthoquinone; 1,4-Naphthoquinone, 2-hydroxy-3-(2-methylpropenyl)- |
C14H12O3 |
228.24 |
CC(=CC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
|
TCMBANKIN013534 |
3-METHYL-2-THIABUTANE |
Sulfide, isopropyl methyl; 2-(methylthio)propane; 1551-21-9; Propane, 2-(methylthio)-; 2-methylsulfanylpropane; Methyl isopropyl sulfide |
C4H10S |
90.19 |
CC(C)SC |
|
TCMBANKIN013540 |
(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN013593 |
jioglutin E |
jioglutin e |
C11H20O5 |
232.27 g/mol |
CC1(CC(C2C1C(OC(C2)OC)OC)O)O |
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN013699 |
(6S,7R,8E)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one |
(6S,7R,8E)-7-methoxy-3,6-dimethyl-10-methylene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one |
|
260.36 |
|
|
TCMBANKIN013916 |
Deoxyvasicinone |
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-; 1,2,3,10-tetrahydro-pyrrolo[2,1-b]quinazolin-9-one; AC1Q1HJF; BG00602365; BBL028460; InChI=1/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H; AC1Q6FYI; ST50135008; 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one; SCHEMBL864139; 4-hydropyrrolidino[2,1-b]quinazolin-5-one; AKOS002210198; VARHXCYGZKSOOO-UHFFFAOYSA-N; DTXSID90201049; deoxyvasicinone; W1018; STOCK1N-00997; cid_68261; Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-; MolPort-000-489-741; CHEBI:4435; 3H-Quinazolin-4-one, 2,3-trimethyleno; FCH831074; SR-01000434191; 2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one\n2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; BDBM50244216; SMR000024071; HMS2507B03; MLS000088451; MFCD00247051; STL373117; ZINC226366; NSC 159478; AC1L29DJ; BB_NC-02943; SR-01000434191-1; CHEMBL456881; NSC159478; ZINC00226366; 4CN-1561; MCULE-8877508828; NSC-159478; 530-53-0; BB_NC-1382; C10659; 2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-; Desoxyvasicinon; 2,3-Trimethylene-4-quinazolone; 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one |
C11H10N2O |
186.21 |
C1CC2=NC3=CC=CC=C3C(=O)N2C1 |
|
TCMBANKIN013945 |
[1R-(1a,4aa,8a,8aa)]-8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, methyl ester_qt |
|
C17H24O11 |
404.37 |
|
|
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 |
|
TCMBANKIN014175 |
Piperitenone |
NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8 |
C10H14O |
150.22 |
CC1=CC(=O)C(=C(C)C)CC1 |
|
TCMBANKIN014193 |
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] propanoate |
ZINC01850986; propionic acid [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] propanoate; propanoic acid [(1S)-1,5-dimethyl-1-vinylhex-4-enyl] ester |
C13H22O2 |
210.31 |
|
|
TCMBANKIN014213 |
21987_FLUKA |
(1S,3R)-cis-4-Carene; (1R,4R)-4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene; (1S,3R,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene |
C10H16 |
136.23 |
CC1CC2C(C2(C)C)C=C1 |
|
TCMBANKIN014215 |
[(1S,2R,5S,6R)-6-methyl-2-methylol-norpinan-6-yl]methanol |
[(1S,2R,5S,6R)-2-(hydroxymethyl)-6-methyl-6-norpinanyl]methanol; [(1S,2R,5S,7R)-2-(hydroxymethyl)-7-methyl-7-bicyclo[3.1.1]heptanyl]methanol; [(1S,2R,5S,6R)-2-(hydroxymethyl)-6-methyl-norpinan-6-yl]methanol |
|
170.28 |
|
|
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 |
|
TCMBANKIN014266 |
schizonepetoside A_qt |
|
|
168.26 |
|
|
TCMBANKIN014350 |
Tar |
95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
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 |
|
TCMBANKIN014399 |
Eremophilene |
eremophilene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
TCMBANKIN014663 |
Ethyltrimethylethylene |
FR-2400; 2,3-dimethylpent-2-ene; 2-Pentene, 2,3-dimethyl-; 10574-37-5; 2,3-DIMETHYL-2-PENTENE |
C7H14 |
98.19 |
CCC(=C(C)C)C |
|
TCMBANKIN014752 |
methyl (2S)-3-hydroxy-2-phenylpropanoate |
(2S)-3-hydroxy-2-phenylpropanoic acid methyl ester; methyl (2S)-3-hydroxy-2-phenyl-propanoate; (2S)-3-hydroxy-2-phenyl-propionic acid methyl ester |
C10H12O3 |
180.2 |
|
|
TCMBANKIN014793 |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane; nchembio.2007.29-comp12; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN014908 |
ZINC00388662 |
|
C12H20O2 |
196.29 |
|
|
TCMBANKIN014917 |
()-Camphoric acid |
C409_ALDRICH; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid; (1R,3S)-()-Camphoric acid; (1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid |
C10H16O4 |
200.23 |
CC1(C(CCC1(C)C(=O)[O-])C(=O)[O-])C |
|
TCMBANKIN014926 |
Xyloidone |
NSC 629748; Dehydro-.alpha.-lapachone; Xyloidone (VAN); 2H-Naphtho[2,3-b]pyran-5,10-dione, 2,2-dimethyl-; 2,2-dimethylbenzo[g]chromene-5,10-dione; 2,2-dimethylbenzo[g]chromene-5,10-quinone; AIDS014802; AIDS-014802; alpha-Lapachone, dehydro-; ZINC00338411; Dehydro-.alpha.-lapacone; NSC629748; 2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl- (8CI)(9CI); Dehydro-alpha-lapachone; 2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione; 15297-92-4; NSC 106453; Dehydrolapachone; .alpha.-Lapachone, dehydro-; Dehydro-alpha-lapachol; Dehydro-alpha-lapacone; DEHYDROPLAPACHONE; Dehydro-.alpha.-lapachol; NSC106453 |
C15H12O3 |
240.25 |
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C |
|
TCMBANKIN015054 |
cis-linalol pyranoxide |
linalool oxide D (cis-THP); cis-Linalool Oxide, pyranoid; (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3R,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; cis-Linalol oxide (pyranoid); (3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol |
C10H18O2 |
170.25 g/mol |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN015083 |
diosbulbin E |
|
C19H22O6 |
346.37 |
CC12CC(OC(=O)C1CC(C3C2CC4CC3C(=O)O4)O)C5=COC=C5 |
|
TCMBANKIN015084 |
stemonamide |
|
|
329.43 |
|
|
TCMBANKIN015169 |
schizonepetoside E_qt |
|
|
186.28 |
|
|
TCMBANKIN015220 |
(6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-; (R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one; EINECS 224-957-0; (6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 4573-50-6; (6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN015327 |
(1R,4S,6R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one |
(1R,4S,6R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)-7-oxabicyclo[4.1.0]heptan-2-one; (1R,4S,6R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)-7-oxabicyclo[4.1.0]heptan-2-one |
|
234.37 |
|
|
TCMBANKIN015349 |
(2R,4R)-2-phenylchroman-4-ol |
ZINC00085342; (2R,4R)-2-phenyl-4-chromanol |
C15H14O2 |
226.27 |
|
|
TCMBANKIN015357 |
turmeronol A |
turmeronol a |
C15H20O2 |
232.32 |
CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O |
|
TCMBANKIN015378 |
Spiroxabovolide |
|
C11H16O3 |
196.24 |
CC1CCCC2(O1)C(=C(C(=O)O2)C)C |
|
TCMBANKIN015379 |
1-Acetyl-beta-carboline |
1-(9H-beta-carbolin-1-yl)ethanone; 1-acetyl-β-carboline; InChI=1/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H; 1-(9H-$b-carbolin-1-yl)ethanone; 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone; ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)-; 1-acetyl-beta-carboline |
C13H10N2O |
210.23 |
CC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
|
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 |
|
TCMBANKIN015432 |
Pentoxone |
UN2293; ME 6 K; 4-Methoxy-4-methylpentan-2-one [UN2293] [Flammable liquid]; BRN 1747866; 4-Methyl-4-methoxy-2-pentanone; Pent-Oxone Solvent; 4-Methoxy-4-methylpentan-2-one; 4-Methoxy-4-methyl-2-pentanone; CCRIS 4840; WLN: 1OX1 & 1 & 1V1; 107-70-0; ZINC01679564; 4-01-00-04024 (Beilstein Handbook Reference); NSC 48083; EINECS 203-512-4; NSC48083; 4-methoxy-4-methyl-pentan-2-one; HSDB 1153; 2-Pentanone, 4-methoxy-4-methyl- |
C7H14O2 |
130.18 |
CC(=O)CC(C)(C)OC |
|
TCMBANKIN015467 |
rel-(1R,3aS,4S,7S,8R,8aS)-7-isopropyl-1,4-dimethyldecahydro-4,7-epoxyazulene-1,8-diol |
InChI=1/C15H26O3/c1-9(2)15-8-7-14(4,18-15)10-5-6-13(3,17)11(10)12(15)16/h9-12,16-17H,5-8H2,1-4H3/t10-,11-,12+,13+,14-,15-/m1/s; 4,7-epoxyazulene-1,8-diol, decahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,7R,8S,8aR)-; (1R*,4S*,5R*,6S*,7R*,10R*)-4,6-Dihydroxy-7,10-epoxy-1,5-trans-guaiane |
|
254.41 |
|
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN015495 |
Diethylacetic acid |
NSC 11765; EINECS 201-796-4; AI3-04629; InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8; Acetic acid, diethyl-; 2-Ethylbutanoic acid; LMFA01020077; 3-Pentanecarboxylic acid; diethyl acetic acid; BRN 1098634; 88-09-5; NSC11765; 2-ethyl-butanoic acid; FEMA No. 2429; 2-Ethyl butanoic acid; NSC8758; Butyric acid, 2-ethyl-; alpha-Ethylbuytyric acid; 03190_FLUKA; .alpha.-Ethylbutyric acid; 4-02-00-00950 (Beilstein Handbook Reference); WLN: QVY2&2; Butanoic acid, 2-ethyl-; 2-Ethylbutyric acid; alpha-Ethylbutyric acid; 109959_ALDRICH; 134331-89-8; W242918_ALDRICH; Kyselina diethyloctova [Czech] |
C6H12O2 |
116.16 g/mol |
CCC(CC)C(=O)O |
|
TCMBANKIN015632 |
forsythidmethylester_qt |
|
|
242.25 |
|
|
TCMBANKIN015746 |
CNH |
00591_FLUKA; Acetoncyanhydrin; AI3-04257; Acetone cyanohydrin; 59182-86-4; HSDB 971; acetone-cyanohydrin; 2-Hydroxyisobutyronitrile; RCRA waste number P069; 2-hydroxy-2-methyl-propanenitrile; Acetonecyanhydrine; C02659; Acetoncianidrina [Italian]; Acetonkyanhydrin; 4-03-00-00785 (Beilstein Handbook Reference); 2-Hydroxy-2-methylpropionitrile; A10000_ALDRICH; Acetone cyanhydrin; Acetoncianhidrinei [Romanian]; 75-86-5; 2-Cyano-2-hydroxypropane; NSC 131093; NSC7080; Acetoncianhidrinei; .alpha.-Hydroxyisobutyronitrile; 2-Cyano-2-propanol; Acetoncianidrina; Cyanhydrine d'acetone; SBB004397; 2-Propanone, cyanohydrin; Acetoncyaanhydrine; NSC131093; UN1541; BRN 0605391; Lactonitrile, 2-methyl-; CHEBI:15348; Acetone cyanohydrin, stabilized; Acetonkyanhydrin [Czech]; Acetone cyanohydrin, stabilized [UN1541] [Poison]; WLN: QX1&1&CN; alpha-Hydroxyisobutyronitrile; 2-Hydroxy-2-methylpropanenitrile; EINECS 200-909-4; Cyanhydrine d'acetone [French]; Acetoncyaanhydrine [Dutch]; Acetoncyanhydrin [German]; RCRA waste no. P069; Usaf rh-8; InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H; 2-Methyllactonitrile; Acetonecyanhydrine [French]; Propanenitrile, 2-hydroxy-2-methyl-; 2-hydroxy-2-methyl-propionitrile; CCRIS 4657; NSC977 |
C4H7NO |
85.1 |
CC(C)(C#N)O |
|
TCMBANKIN015754 |
2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN015837 |
1-Oxaspiro[2.5]octan-4-one, 5,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [3a,5b(Z)]- |
|
|
236.34 |
|
|
TCMBANKIN015838 |
3-methoxy-1H-quinazoline-2,4-dione |
2,4(1H,3H)-Quinazolinedione, 3-methoxy-; 3-methoxy-1H-quinazoline-2,4-quinone; 3-Methoxy-2,4(1H,3H)-quinazolinedione; NSC193560; 41120-18-7 |
C9H8N2O3 |
192.17 |
CON1C(=O)C2=CC=CC=C2NC1=O |
|
TCMBANKIN015894 |
Kingiside_qt |
kingiside_qt |
|
242.25 |
|
|
TCMBANKIN016014 |
caryophyllenyl alcohol |
|
C15H26O |
222.37 |
CC1CCC(C(=CCC2C1CC2(C)C)C)O |
|
TCMBANKIN016099 |
(+)-cis-Isopulegone |
CHEBI:37047; C11951; (2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; LMPR01020095; (2R,5R)-2-isopropenyl-5-methyl-1-cyclohexanone; (2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one; (2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN016115 |
4,5,9,10-Dehydro-isolongifolene |
|
|
200.35 |
|
|
TCMBANKIN016213 |
Zingiberenol |
zingiberenol |
C15H26O |
222.37 |
CC(CCC=C(C)C)C1CCC(C=C1)(C)O |
|
TCMBANKIN016238 |
AMG |
Methyl alpha-D-galactopyranoside; 34004-14-3; (2S,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol; ALPHA-METHYL-D-GALACTOSIDE; Methyl alpha-D-galactoside; M1379_SIGMA; ZINC04262102; EINECS 222-251-7; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 66916_FLUKA |
C7H16O7 |
212.2 g/mol |
COC1C(C(C(C(O1)CO)O)O)O.O |
|
TCMBANKIN016318 |
sessilifoline B |
|
C17H27NO2 |
277.4 g/mol |
CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C |
|
TCMBANKIN016328 |
Estan |
Androst-4-en-3-one, 17.beta.-hydroxy-17-methyl-; 17.alpha.-Methyltestosterone; 69240_FLUKA; SMR000058528; Premarin with Methyltestosterone; Androst-4-en-3-one, 17beta-hydroxy-17-methyl-; Androst-4-en-3-one, 17-beta-hydroxy-17-methyl-; Methyltestosterone; Dianabol; Homandren (VAN); U 2842; Dumogran; Methyltestosteronum [INN-Latin]; Metandren; Androsan; 17-beta-Hydroxy-17-methylandrost-4-en-3-one; NSC9701; ZINC03814422; Syndren; Homandren, tablets; Synandrotabs; 17-Hydroxy-17-methyl-3-keto-androstene-4; Neo-Hombreol [M]; Malogen; component of Gynetone; 17alpha-Methyl-3-oxo-4-androsten-17beta-ol; METHYL TESTOSTERONE; component of Estan; EINECS 200-366-3; RU 24400; Androsan, tablets; Testred; 4-08-00-01010 (Beilstein Handbook Reference); 46444_RIEDEL; Stenolon; Testoviron (VAN); Methyltestosterone [USAN:BAN:INN:JAN]; Malestrone; 17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one; Testoviron; Testoviron (tablet); 4-Androstene-17-alpha-methyl-17-beta-ol-3-one; Androsan (tablets); Mesterone; 1300-17-0; BRN 2057425; Androst-4-en-3-one, 17-hydroxy-17-methyl-, (17beta)-; Neo-Hombreol-M; Oreton Methyl; Homandren; Synandrets; 69241_FLUKA; Neo-Homobreol [M]; Orchisterone-M; Metiltestosterona [INN-Spanish]; 4-Androstene-17alpha-methyl-17beta-ol-3-one; CDB 110; Testred (TN); M7252_SIGMA; Anertan; Metiltestosterone [DCIT]; Anertan (tablets); CCRIS 3723; WLN: L E5 B666 OV MUTJ A E FQ F -B&AEF; Testovis (tablet); M.T.Mucorettes; Glosso sterandryl; 4-Androstene-17.alpha.-methyl-17.beta.-ol-3-one; Oreton-M; NSC 139965; 17alpha-Methyl-4-androsten-17beta-ol-3-one; Android (TN); D00408; Testora; NCGC00091009-01; Androst-4-en-3-one, 17-hydroxy-17-methyl-, (17.beta.)-; (17beta)-17-hydroxy-17-methylandrost-4-en-3-one; 17alpha-Methyltestosterone; 17beta-Hydroxy-17-methylandrost-4-en-3-one; Mastestona; Steronyl; Androsan (VAN); 31745-24-1; Metestone; Android; LMST02020029; Andrometh; Testovis Depot; Methyltestosterone (JP15/USP/INN); 17beta-Hydroxy-17alpha-methyl-4-androsten-3-one; C07198; Nu-man; 17.alpha.-Methyl-3-oxo-4-androsten-17.beta.-ol; Oraviron; component of Tylosterone; Anertan, tablets; Estratest; (17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one; Nabolin; 17-Methyltestosteron; NSC-9701; Hormale; NCGC00091009-03; 17alpha-Methyl-delta-androsten-17beta-ol-3-one; NSC139965; Glosso-Sterandryl; L 589.372; HSDB 3365; Testosterone, 17-methyl-; Anertan (VAN); 17-Methyltestosterone; Masenone; Metrone; 58-18-4; MLS000759474; (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; Androsten; Oreton M; Testhormone |
C20H30O2 |
302.45 |
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C |
|
TCMBANKIN016333 |
Karenzu DK2 |
SPECTRUM1505311; Spectrum3_001950; 1,3-Diphenylpropane-1,3-dione; AIDS017990; 1,3-Propanedione, 1,3-diphenyl-; Rhodiastab 83; 2-Benzoylacetophenone; AIDS-017990; AI3-19022; KBio3_002841; NCGC00095298-01; SPBio_000135; 1,3-di(phenyl)propane-1,3-dione; Phenyl phenacyl ketone; NCGC00095298-02; Dibenzoylmethane; .omega.-Benzoylacetophenone; BSPBio_003550; 120-46-7; Spectrum2_000038; NSC 6266; NSC6266; Dibenzoyl-methane; 61346-73-4; BRN 0514910; omega-Benzoylacetophenone; EINECS 204-398-9; D33454_ALDRICH; 1,3-Diphenyl-1,3-propanedione; ST5319429 |
C15H12O2 |
224.25 |
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
|
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 |
|
TCMBANKIN016630 |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran; ZINC02018445 |
C10H18O |
154.25 |
|
|
TCMBANKIN016662 |
(1R,3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[7,6-d]furan-2,8-dione |
(1R,3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[7,6-d]furan-2,8-quinone |
|
266.37 |
|
|
TCMBANKIN016694 |
gentianine |
AKOS005266580; Gentianine; ZINC1530467; MCULE-3837896278; 439-89-4; NSC606848; 4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone; BB_NC-0759; 5-vinyl-3-hydro-4H-pyrano[3,4-c]pyridin-1-one; 1H-Pyrano(3,4-c)pyridin-1-one, 5-ethenyl-3,4-dihydro- (9CI); 4-27-00-02817 (Beilstein Handbook Reference); Gencianina; Bio-0278; Q-100479; C2PD310UXB; 1H-Pyrano[3,4-c]pyridin-1-one, 5-ethenyl-3,4-dihydro-; 5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; Erythricine; FCH842303; ZINC01530467; From Schultesia guianensis malme (Mata-Zombando); C06525; 5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; UNII-C2PD310UXB; 5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; 5-vinyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; ST023290; CHEBI:28981; NSC-606848; W1062; 1H-Pyrano[3,4-c]pyridin-1-one,5-ethenyl-3,4-dihydro-; 4-(2-Hydroxyethyl)-5-vinylnicotinic lactone; MolPort-002-507-225; SCHEMBL2216852; AC1L74P3 |
C10H9NO2 |
175.18 g/mol |
C=CC1=CN=CC2=C1CCOC2=O |
|
TCMBANKIN016847 |
Sylvestrene |
499-03-6; 1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE; 1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-; 1-methyl-3-(1-methylethenyl)cyclohexene; 3-Isopropenyl-1-methylcyclohexene; m-Mentha-1,8-diene, (.+/-.)-; A23140; 1-methyl-3-prop-1-en-2-ylcyclohexene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-; AC1Q2A53; Carvestren; m-Mentha-1,8-diene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-; UXZIDIYMFIBDKT-UHFFFAOYSA-N; Carvestrene; sylvestrene; (+-)-Isosylvestrene; AC1L1V0T; 38738-60-2; 3-Isopropenyl-1-methyl-1-cyclohexene #; (+-)-m-Mentha-1,8-diene |
C10H16 |
136.23 |
CC1=CCCC(C1)C(=C)C |
|
TCMBANKIN016949 |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
362.37 |
|
|
TCMBANKIN016993 |
(1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione |
(1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione; (1R,5R,6R,7R)-3-allyl-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone |
|
356.45 |
|
|
TCMBANKIN016994 |
Villosol |
LMPK12060064; villosol; 6a,12-Didehydrosumatrol; SCHEMBL419039; Villosolside_qt |
C16H26O9 |
362.37 |
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O |
|
TCMBANKIN017076 |
76897_FLUKA |
(2R,4R)-pentane-2,4-diol; ZINC00388354; (R,R)-(−)-2,4-Pentanediol; 243175_ALDRICH |
C5H12O2 |
104.15 |
CC(CC(C)O)O |
|
TCMBANKIN017206 |
plantagoguanidinic,acid |
|
|
225.33 |
|
|
TCMBANKIN017219 |
Proximadiol |
(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol; proximadiol; 55353-16-7; (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol; (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1-decalinol; 4666-84-6; 2-Naphthalenemethanol, decahydro-8-hydroxy-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8beta,8abeta))- |
C15H28O2 |
240.38 |
CC12CCCC(C1CC(CC2)C(C)(C)O)(C)O |
|
TCMBANKIN017306 |
()-Isopulegol |
ZINC01081211; 439053_ALDRICH; (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1S,3S,4R)-p-Menth-8-en-3-ol; 59765_FLUKA; (1S,2R,5S)-2-Isopropenyl-5-methylcyclohexanol; (1S,2R,5S)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-1-cyclohexanol |
C10H18O |
154.25 |
|
|
TCMBANKIN017319 |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyldecalin-1,8a-diol |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-1,8a-diol; (1S,4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol |
C15H26O2 |
238.37 |
|
|
TCMBANKIN017354 |
(1S,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN017396 |
scandoside_qt |
scandoside methyl ester_qt; Scandoside_qt; Scandoside methyl ester_qt; DEACETYLASPERULOSIDICACID_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN017403 |
alpinolide peroxide |
|
C15H22O5 |
282.33 |
|
|
TCMBANKIN017488 |
trans-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN017499 |
()-Dihydrocarveol |
22567-21-1; (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol; (1S-(1alpha,2beta,5alpha))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol; (1S,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2S,5S)-5-isopropenyl-2-methyl-cyclohexan-1-ol; LMPR01020086; (1S,2S,5S)-5-isopropenyl-2-methyl-1-cyclohexanol; 37277_FLUKA; EINECS 245-085-7; (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; C11413; (1S,2S,4S)-Dihydrocarveol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN017603 |
(1S,2S,5S)-2,5-dimethylcyclohexan-1-ol |
(1S,2S,5S)-2,5-dimethyl-1-cyclohexanol |
C8H16O |
128.21 |
|
|
TCMBANKIN017610 |
Carpesia lactone |
carpesia lactone |
C15H20O3 |
248.32 g/mol |
CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C |
|
TCMBANKIN017626 |
N-Methylvalerolactam |
1-Methyl-2-piperidone; EINECS 213-231-9; 1-Methyl-2-piperidinone; 2-Piperidone, 1-methyl-; NSC67384; AI3-11535; NSC 67384; N-Methyl-.delta.-valerolactam; 1-methylpiperidin-2-one; M73788_ALDRICH; InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H; N-Methyl-2-piperidinone; N-Methyl-2-piperidone; 5-21-06-00398 (Beilstein Handbook Reference); 68876_FLUKA; BRN 0001708; 931-20-4; 1-Methylpiperidine-2-one; 2-Piperidinone, 1-methyl- |
C6H11NO |
113.16 |
CN1CCCCC1=O |
|
TCMBANKIN017770 |
1,5-dimethyl-6-methylethenylspiro[2.4]heptane |
|
|
164.32 |
|
|
TCMBANKIN017889 |
(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one |
ZINC00338038; (2R)-7-hydroxy-5-methoxy-2-phenyl-4-chromanone; (2R)-7-hydroxy-5-methoxy-2-phenyl-chroman-4-one |
C16H14O4 |
270.28 |
|
|
TCMBANKIN017935 |
S(-)-Secobarbital |
5-allyl-5-[(1S)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione; 5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione; 20224-45-7; BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (S)-(-)-; S(-)-5-Allyl-5-(1-methylbutyl)-barbituric acid; 5-allyl-5-[(1S)-1-methylbutyl]barbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (S)- (9CI) |
C12H18N2O3 |
238.28 |
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|
TCMBANKIN017993 |
vitamin c |
D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 |
C6H8O6 |
176.12 |
C(C(C1C(=C(C(=O)O1)O)O)O)O |
|
TCMBANKIN018028 |
α-campholenaldehyde |
|
|
150.29 |
|
|
TCMBANKIN018100 |
cis-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN018104 |
leonurinine_qt |
leonuridine_qt |
C15H24O9 |
348.35 |
|
|
TCMBANKIN018220 |
(9aS,9bR)-3,6,9-trimethyl-5,7,9a,9b-tetrahydro-4H-azuleno[5,4-d]furan-2-one |
|
|
230.33 |
|
|
TCMBANKIN018234 |
Schizonepetoside D_qt |
|
|
168.26 |
|
|
TCMBANKIN018294 |
(R)-4-Methoxydalbergione |
2-methoxy-5-[(1R)-1-phenylprop-2-enyl]-1,4-benzoquinone; C10505; 2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexa-2,5-diene-1,4-dione; 4646-86-0; 2-methoxy-5-[(1R)-1-phenylprop-2-enyl]-p-benzoquinone |
C16H14O3 |
254.28 |
COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2 |
|
TCMBANKIN018347 |
3-methoxy-10-methylenefuranogermacra-1- en-6-one |
(1E)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C16H20O3 |
260.33 g/mol |
CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C |
|
TCMBANKIN018394 |
Loniceracetalide A_qt |
|
|
298.37 |
|
|
TCMBANKIN018460 |
dihydrotanshinlactone |
|
|
266.31 |
|
|
TCMBANKIN018463 |
1,3- dihydroxy-3-methylanthraquinone |
|
|
254.25 |
|
|
TCMBANKIN018488 |
NEH |
Etilamina [Italian]; Ethylamine; Aminoethane; CHEBI:15862; Etyloamina [Polish]; UN1036; Ethyl amine; QuadraPure EDA; 85404-22-4; AI3-24228; QuadraPure Bis(ethylamine); 668583_ALDRICH; C00797; UN2270; Aethylamine [German]; 395064_ALDRICH; 301264_ALDRICH; 85404-16-6; 395072_ALDRICH; EINECS 200-834-7; Monoethylamine; 02946_FLUKA; 471208_ALDRICH; HSDB 803; InChI=1/C2H7N/c1-2-3/h2-3H2,1H; Ethylamine [UN1036] [Flammable gas]; 1-Aminoethane; 43031-21-6; 75-04-7; Ethanamine; Ethylamine solution (72% or less); c0920; Ethylamine, aqueous solution with not <50% but not >70% ethylamine [UN2270] [Flammable liquid]; CCRIS 6261; Ethylamine solution |
C2H7N |
45.08 |
C(CS)N |
|
TCMBANKIN018502 |
(S)-2-Ethylhexanoic acid |
InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10; 72377-05-0; (2S)-2-ethylhexanoic acid; Hexanoic acid, 2-ethyl-, (S)-; (+)-2-Ethylhexanoic acid; InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s |
C8H16O2 |
144.21 |
CCCCC(CC)C(=O)O |
|
TCMBANKIN018592 |
(+)-1,5-Epoxy-nor-ketoguaia-11-ene |
(+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one |
C14H20O2 |
220.31 g/mol |
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
|
TCMBANKIN018664 |
CHANOCLAVINE |
SAHHMCVYMGARBT-UXBLZVDNSA-N; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, [4R-[4.alpha.,5.beta.(E)]]-; 1349-51-5; chanoclavine; Chanoclavine-I; C09131; 2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-; SCHEMBL10822246; 2-Methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol-, (4R-(4alpha,5beta (E)))-; 2390-99-0; Chanoclavine I; 6,7-Secoergoline-8-methanol, 8,9-didehydro-6-methyl-, (E)-; Secaclavine; Isochanoclavin; 11012-16-1; Secaclavin; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4.beta.-(methylamino)benz[cd]indol-5.alpha.-yl]-; Chanoclavin-I; Benz[cd]indole, 2-propen-1-ol deriv.; 479-04-9 |
C16H20N2O |
256.34 |
CC(=CC1C(CC2=CNC3=CC=CC1=C23)[NH2+]C)CO |
|
TCMBANKIN018669 |
safranal |
EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde |
C10H14O |
150.22 |
CC1=C(C(CC=C1)(C)C)C=O |
|
TCMBANKIN018701 |
(3S,3aR,8aR)-3,8a-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,3a,4-tetrahydroazulen-6-one |
(3S,3aR,8aR)-3,8a-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4-tetrahydroazulen-6-one |
C15H22O3 |
250.33 |
|
|
TCMBANKIN018721 |
3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-carbostyril |
3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one; 3-[(2R)-2,3-dihydroxy-3-methyl-butyl]-4-methoxy-1-methyl-quinolin-2-one; 2(1H)-Quinolinone, 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-, (R)-; 27495-36-9; 3-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methyl-2-quinolinone |
C16H21NO4 |
291.34 |
CC(C)(C(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)O)O |
|
TCMBANKIN018731 |
Cyclobutanol, 1-ethyl- |
84256-19-9; 1-ethyl-1-cyclobutanol; 1-ethylcyclobutan-1-ol |
C6H12O |
100.16 g/mol |
CCC1(CCC1)O |
|
TCMBANKIN018847 |
methyl (2S)-2-dimethylamino-3-(1H-indol-3-yl)propanoate |
(2S)-2-dimethylamino-3-(1H-indol-3-yl)propanoic acid methyl ester; (2S)-2-dimethylamino-3-(1H-indol-3-yl)propionic acid methyl ester |
C14H18N2O2 |
246.3 |
|
|
TCMBANKIN018897 |
DLE |
(2R)-2-amino-4-methyl-pentanoic acid; (R)-2-Amino-4-methylpentanoic acid; SBB006736; 61830_FLUKA; CHEBI:28225; D-Leucin; D-2-Amino-4-methylvaleric acid; D-Leucine; NCGC00163335-01; D-Leuzin; (2R)-2-amino-4-methyl-valeric acid; C01570; (2R)-2-amino-4-methylpentanoic acid; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9; 855448_ALDRICH; 328-38-1 |
C6H13NO2 |
131.17 |
CC(C)CC(C(=O)O)N |
|
TCMBANKIN019163 |
(Z)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one |
(Z)-1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one |
|
240.27 |
|
|
TCMBANKIN019187 |
Tricyclo[4.3.1.12,5]undec-3-en-10-ol, 3-(1-methylethyl)-, (1R,2S,5S,6S,10R)-rel- |
|
|
206.36 |
|
|
TCMBANKIN019189 |
Lactucin |
lactucin |
C15H16O5 |
276.28 |
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
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 |
|
TCMBANKIN019217 |
7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione |
7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-quinone |
|
242.26 |
|
|
TCMBANKIN019225 |
10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane |
2-methylpropanoic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; 60410-89-1; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzoxol-4-yl] 2-methylpropanoate; 10β-hydroxy-6β-isobutyryl furanoeremophilane; 10beta-hydroxy-6beta-isobutyryl furanoeremophilane; C09685; 2-methylpropionic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] 2-methylpropanoate |
C19H28O4 |
320.4 g/mol |
CC1CCCC2(C1(C(C3=C(C2)OC=C3C)OC(=O)C(C)C)C)O |
|
TCMBANKIN019243 |
8β-ethoxy atractylenolide Ⅲ |
|
276.41 |
35.950919 |
|
|
TCMBANKIN019348 |
3β-acetoxy-16β-hydroxydammar-24-ene |
|
|
534.86 |
|
|
TCMBANKIN019367 |
schizonodiol |
Schizonodiol; (4S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one; AC1NT0A0 |
C10H16O3 |
184.23 |
CC1CC(=O)C(=CC1O)C(C)(C)O |
|
TCMBANKIN019375 |
(2R,3S)-3-hydroxy-2-methylbutanoic acid |
(2R,3S)-3-hydroxy-2-methyl-butyric acid; (2R,3S)-3-hydroxy-2-methyl-butanoic acid |
C5H10O3 |
118.13 |
CC(C(C)O)C(=O)O |
|
TCMBANKIN019507 |
(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
|
C10H16 |
136.23 |
CC1(C2CCC1(C=C2)C)C |
|
TCMBANKIN019543 |
2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] ester; acetic acid [1-[(1S)-5-keto-4-methyl-1-cyclohex-3-enyl]-1-methyl-ethyl] ester; 2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] acetate |
C12H18O3 |
210.27 |
|
|
TCMBANKIN019558 |
(4aR,7R,8R)-7,8-dihydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN019599 |
(2S,4S)-2,4-dimethyl-1,3-dioxane |
|
C6H12O2 |
116.16 |
|
|
TCMBANKIN019741 |
49070_FLUKA |
(−)-Globulol |
C15H26O |
222.37 |
|
|
TCMBANKIN019783 |
(3R)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid |
STOCK1N-01941; (3R)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid |
|
216.26 |
|
|
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 |
|
TCMBANKIN019829 |
2,3,4-Trimethylpentane |
EINECS 209-292-6; NSC 24846; NSC24846; 4-01-00-00446 (Beilstein Handbook Reference); BRN 1696869; 257508_ALDRICH; 565-75-3; Pentane, 2,3,4-trimethyl-; 92613_FLUKA; FR-2238 |
C8H18 |
114.23 |
CC(C)C(C)C(C)C |
|
TCMBANKIN019834 |
2-(1-methoxyindol-3-yl)acetonitrile |
2-(1-methoxyindol-3-yl)ethanenitrile; 2-(1-methoxy-3-indolyl)acetonitrile |
C11H10N2O |
186.21 g/mol |
CON1C=C(C2=CC=CC=C21)CC#N |
|
TCMBANKIN019860 |
1-Methyl-3-isopropoxy cyclohexane |
SCHEMBL8295326; 1-methyl-3-propan-2-yloxycyclohexane; 1-methyl-3-isopropoxy cyclohexane; AC1NSYGG |
C10H20O |
156.26 g/mol |
CC1CCCC(C1)OC(C)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 |
|
|
TCMBANKIN019920 |
1,4-diethyl-1,4-dimethyl-2,5-cyclohexadiene |
|
|
164.32 |
|
|
TCMBANKIN019935 |
PROPYL ISOVALERATE |
AI3-33613; 93692_FLUKA; ST5410799; Butanoic acid, 3-methyl-, propyl ester (9CI); Isovaleric acid, propyl ester; FEMA No. 2960; Propyl 3-methylbutyrate; Butanoic acid, 3-methyl-, propyl ester; Propyl isovalerianate; Propyl isovalerate (natural); Propyl 3-methylbutanoate; BRN 1747146; EINECS 209-148-2; 3-methylbutanoic acid propyl ester; Propyl isopentanoate; 557-00-6; 3-methylbutyric acid propyl ester |
C8H16O2 |
144.21 |
CCCOC(=O)CC(C)C |
|
TCMBANKIN019953 |
lanceol |
|
C15H24O |
220.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)CO |
|
TCMBANKIN020133 |
Vulgarin |
Tauremizin; Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-; 34319-09-0; 3162-56-9; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-dione; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-quinone; Barrelin; Judaicin (sesquiterpene); MLS001185447; 3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3H,4H)-dione; ZINC03881676; 17237-80-8; C09600; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)-; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-; 1351-48-0; Tauremisin; Judaicin; SMR000445685; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydronaphtho[6,5-d]furan-2,6-dione; 5091-07-6; MLS000728573; STK013739 |
C15H20O4 |
264.32 |
CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C |
|
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 |
|
TCMBANKIN020155 |
oxidized aristolane C |
|
|
250.37 |
|
|
TCMBANKIN020195 |
(+)-Ledol |
577-27-5; C09698; 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))- |
C15H26O |
222.37 g/mol |
CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
|
TCMBANKIN020235 |
2,3,5-Trimethylcyclopent-en-1-one |
|
|
124.2 |
|
|
TCMBANKIN020283 |
methyl 2-hydroxy-3,4-dimethoxybenzoate |
ODKFBQCYKKPNLJ-UHFFFAOYSA-N; 2-hydroxy-3,4-dimethoxy-benzoic acid methyl ester; methyl 2-hydroxy-3,4-dimethoxy-benzoate; 6395-23-9; methyl 2-hydroxy-3,4-dimethoxy benzoate; SCHEMBL1434290; 2-hydroxy-3,4-dimethoxybenzoic acid methyl ester; Methyl 2-hydroxy-3,4-dimethoxy benzoate; Methyl 3,4-dimethoxy-2-hydroxybenzoate; AC1NSYFM; 3,4-Dimethoxysalicylic acid methyl ester |
C10H12O5 |
212.2 |
COC1=C(C(=C(C=C1)C(=O)OC)O)OC |
|
TCMBANKIN020286 |
2',4'-dihydroxy-6'-methhoxychalcone |
|
C16H14O4 |
270.28 |
|
|
TCMBANKIN020584 |
paeonin,c_qt |
|
|
210.25 |
|
|
TCMBANKIN020604 |
Gibberellin A44 |
C12308; LMPR01040090 |
C20H26O5 |
346.42 |
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O |
|
TCMBANKIN020714 |
RAM |
ALPHA-RHAMNOSE; 6-deoxy-alpha-L-mannopyranose; alpha-L-rhamnopyranose; (2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol; alpha-L-Rha; CHEBI:27907; alpha-L-Mannomethylose; alpha-6-Deoxy-L-mannose; ZINC03861280; CHEBI:27848; alpha-L-Rhamnose; C02476; RAA; alpha-L-rhamnosides; alpha-L-Rhamnoside; 6-deoxy-alpha-L-mannopyranoside; (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol; 10030-85-0 |
C6H14O6 |
182.17 g/mol |
CC(C(C(C(C=O)O)O)O)O.O |
|
TCMBANKIN020777 |
(2R,3S)-2-amino-3-hydroxy-succinic acid |
(2R,3S)-2-amino-3-hydroxy-butanedioic acid; Lopac-H-2775; (2R,3S)-2-amino-3-hydroxybutanedioic acid; NCGC00015504-01 |
C4H7NO5 |
149.1 |
C(C(C(=O)O)O)(C(=O)O)N |
|
TCMBANKIN020813 |
(1S,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
|
C15H24O |
220.35 |
|
|
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 |
|
TCMBANKIN020999 |
3-isopropyl-6-isobutyl-2,5-piperazinedione |
|
C11H20N2O2 |
212.29 |
|
|
TCMBANKIN021087 |
beta-Irone |
|
C14H22O |
206.32 |
CC1CCC(=C(C1(C)C)C=CC(=O)C)C |
|
TCMBANKIN021088 |
Deoxyarteannuin B |
78092-22-5; InChI=1/C15H20O2/c1-9-4-6-12-10(2)5-7-13-11(3)14(16)17-15(12,13)8-9/h8,10,12-13H,3-7H2,1-2H3/t10-,12+,13+,15-/m1/s; 6,9-Dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-1-oxa-cyclopenta[d]naphthalen-2-one; rel-(3aR,6S,6aR,10aR)-6,9-dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-2H-naphtho[8a,1-b]furan-2-one; 2H-naphtho[8a,1-b]furan-2-one, 3,3a,4,5,6,6a,7,8-octahydro-6,9-dimethyl-3-methylene-, (3aS,6R,6aS,10aS)- |
C15H20O2 |
232.32 |
CC1CCC2C(=C)C(=O)OC23C1CCC(=C3)C |
|
TCMBANKIN021122 |
sedanoic-acid |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN021165 |
(1R,2R)-2-dimethylamino-1-phenylpropan-1-ol |
(1R,2R)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN021321 |
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone |
3-(3-ketobutyl)-2,4,4-trimethyl-cyclohex-2-en-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one; 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohex-2-enone |
C13H20O2 |
208.3 |
CC1=C(C(CCC1=O)(C)C)CCC(=O)C |
|
TCMBANKIN021519 |
Fraxinol |
fraxinol; 6-hydroxy-5,7-dimethoxy-2-chromenone; 486-28-2; 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-; 6-hydroxy-5,7-dimethoxy-chromen-2-one; 6-hydroxy-5,7-dimethoxychromen-2-one; 6-hydroxy-5,7-dimethoxy-coumarin |
C11H10O5 |
222.19 |
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O |
|
TCMBANKIN021599 |
9-Cedranone |
9-cedranone |
C15H24O |
220.35 |
|
|
TCMBANKIN021647 |
divaricataester,a |
|
|
264.3 |
|
|
TCMBANKIN021653 |
4-(2-formyl-5-carbooxymethyl-pyrrole-1-yl)-3-phenyl-methyl propanoate |
|
|
301.37 |
|
|
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 |
|
TCMBANKIN021683 |
4-allyl-2-meth-oxyphenyl 2-methylbutanoate |
|
|
248.35 |
|
|
TCMBANKIN021743 |
3,3-Dimethylcyclohexanol |
3,3-dimethyl-cyclohexanol |
C8H16O |
128.21 |
CC1(CCCC(C1)O)C |
|
TCMBANKIN021778 |
2,2-DIMETHYLPENTANE |
EINECS 209-680-5; Pentane, 2,2-dimethyl-; 590-35-2; FR-2131; InChI=1/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H; 41060_FLUKA; 110671_ALDRICH |
C7H16 |
100.2 |
CCCC(C)(C)C |
|
TCMBANKIN021797 |
Codonopsine |
codonopsine; C10137; AC1L9D48; (2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol; CHEBI:3805; NCGC00160242-01; DTXSID60331887; 26989-20-8; (2R,3R,4R,5R)-2-(3,4-dimethoxyphenyl)-1,5-dimethyl-pyrrolidine-3,4-diol; STOCK1N-18670 |
C14H21NO4 |
267.32 |
CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O |
|
TCMBANKIN021815 |
harpagide acetate_qt |
|
|
228.27 |
|
|
TCMBANKIN021909 |
Evodiamide |
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylaminobenzamide; AC1Q5FLA; A813575; Benzamide, N-(2-(1H-indol-3-yl)ethyl)-N-methyl-2-(methylamino)-; N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylamino-benzamide; 116965-70-9; evodiamide; n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide; AC1L4OQR |
C19H21N3O |
307.39 |
CNC1=CC=CC=C1C(=O)N(C)CCC2=CNC3=CC=CC=C32 |
|
TCMBANKIN021928 |
3-methoxy-4-acetoxycinnamyl angelate |
[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
C17H20O5 |
304.34 g/mol |
CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN021929 |
(1S,2S,5S)-2-isopropyl-5-methyl-1-cyclohexanol |
(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol; ZINC02038603; (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol; (1S,2S,5S)-2-isopropyl-5-methyl-cyclohexan-1-ol |
C10H20O |
156.27 |
|
|
TCMBANKIN021964 |
1-isobutyl-2,5-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN022046 |
3-O-Ethylascorbic acid |
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxyfuran-2(5H)-one; 3-O-Ethyl-L-ascorbic acid; 86404-04-8; CCRIS 7479; (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one |
C8H12O6 |
204.18 |
CCOC1=C(C(=O)OC1C(CO)O)O |
|
TCMBANKIN022074 |
3-Methoxy-4-propoxybenzaldehyde |
57695-98-4; 3-methoxy-4-propoxy-benzaldehyde; ZINC01793726; SBB000330 |
C11H14O3 |
194.23 |
CCCOC1=C(C=C(C=C1)C=O)OC |
|
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 |
|
TCMBANKIN022199 |
(2R)-4-methoxy-2,5-dimethylfuran-3-one |
(2R)-4-methoxy-2,5-dimethyl-furan-3-one; (2R)-4-methoxy-2,5-dimethyl-3-furanone |
C7H10O3 |
142.15 |
|
|
TCMBANKIN022313 |
(1R,4R)-4-isopropyl-1,6-dimethyltetralin |
(1R,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene; (1R,4R)-4-isopropyl-1,6-dimethyl-tetralin |
C15H22 |
202.34 |
|
|
TCMBANKIN022320 |
(9aS)-2,5,9,9-tetramethyl-3,4,6,7,8,9a-hexahydrobenzo[7]annulene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN022321 |
(1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN022324 |
1-propenyl-2-vinyl-4-methylcycloheptane |
|
|
178.35 |
|
|
TCMBANKIN022408 |
ZINC04023242 |
(3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone; (3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione; (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione |
|
210.31 |
|
|
TCMBANKIN022422 |
(−)-Alloaromadendrene |
(−)-allo-Aromadendrene; 05680_FLUKA |
C10H18O |
154.25 |
|
|
TCMBANKIN022437 |
o-(o-Methoxyphenoxy)phenol |
2-(2-Methoxyphenoxy)phenol; o-(o-methoxyphenoxy)phenol; Phenol, o-(o-methoxyphenoxy)- |
C13H12O3 |
216.23 |
COC1=CC=CC=C1OC2=CC=CC=C2O |
|
TCMBANKIN022459 |
chloranoside a_qt |
|
|
262.33 |
|
|
TCMBANKIN022514 |
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde |
(3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde; (7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde |
C14H16O2 |
216.28 |
|
|
TCMBANKIN022537 |
Arteglasin A |
Oxireno(2,3)azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,7abeta,8abeta,8balpha,8cbeta))-; arteglasin a; C09303; 33204-39-6 |
C17H20O5 |
304.34 |
CC1=C2CC3C(C2C4C(C(C1)OC(=O)C)C(=C)C(=O)O4)(O3)C |
|
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 |
|
TCMBANKIN022684 |
ledol |
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1ar,4R,4as,7R,7as,7bs)-; 1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol #; (4S,7S)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-; (1aS,4S,4aR,7S,7aR,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol; Ledol; (+)-Ledol; AYXPYQRXGNDJFU-JDQINNIXSA-N; globulol; d-Ledol; AC1O5EIT; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]- |
C15H26O |
222.37 |
CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
|
TCMBANKIN022725 |
1,7-Dimethoxynaphthalene |
ZINC00159511; ST5409760; 575585_ALDRICH; Naphthalene, 1,7-dimethoxy- (8CI)(9CI); Naphthalene, 1,7-dimethoxy-; NSC59835; NSC 59835; 5309-18-2; InChI=1/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H |
C12H12O2 |
188.22 |
COC1=CC2=C(C=CC=C2OC)C=C1 |
|
TCMBANKIN022772 |
C10328 |
Senecionan-11,16-dione, 12-hydroxy-, (15E)- (9CI); 480-79-5; NSC 79540; (15E)-12-Hydroxysenecionan-11,16-dione |
C18H25NO5 |
335.39 |
CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C |
|
TCMBANKIN022956 |
Cyclopropyl ketone |
Dicyclopropyl ketone; EINECS 214-331-5; NSC49148; AI3-37701; InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H; DICYCLOPROPYL-KETON; Dicyclopropylketone; NSC 49148; Methanone, dicyclopropyl- (9CI); ZINC01681235; 36720_FLUKA; Cyclopropyl ketone (8CI); Methanone, dicyclopropyl-; 126047_ALDRICH; 1121-37-5; dicyclopropylmethanone |
C7H10O |
110.15 |
C1CC1C(=O)C2CC2 |
|
TCMBANKIN023102 |
1,5,5,6-tetramethyl-1,3-Cyclohexadiene |
1,5,5,6-tetramethyl-1,3-cyclohexadiene |
C10H16 |
136.23 |
CC1C(=CC=CC1(C)C)C |
|
TCMBANKIN023145 |
Coumurrayin |
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-chromenone; 5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one; coumurrayin; 5,7-dimethoxy-8-(3-methylbut-2-enyl)coumarin; 17245-25-9 |
C16H18O4 |
274.31 |
CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C |
|
TCMBANKIN023152 |
(1S,4aS,6S,8aR)-1,6-dimethyldecalin |
(1S,4aS,6S,8aR)-1,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
|
166.34 |
|
|
TCMBANKIN023169 |
cyclohexyl-dimethylsilane |
cyclohexyl-dimethyl-silane |
C8H18Si |
142.31 |
C[Si](C)C1CCCCC1 |
|
TCMBANKIN023202 |
swermirin |
|
C10H10O4 |
194.18 |
|
|
TCMBANKIN023291 |
3,4,5,5-Tetramethyl-2-cyclopenten-1-one |
|
C9H14O |
138.21 g/mol |
CC1C(=CC(=O)C1(C)C)C |
|
TCMBANKIN023309 |
himachalene |
Himachalene; 1H-Benzocycloheptene, 2, 4a, 5, 6, 7, 8-hexahydro-3, 5, 5, 9-tetramethyl-, (R)- |
C15H24 |
204.35 |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN023319 |
nchembio875-comp6 |
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]acrylic acid; 2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid |
C15H22O2 |
234.33 |
CC=C1CCC2C(C1)C(CCC2=CC)CC(=O)O |
|
TCMBANKIN023346 |
Cedrene-V6 |
|
C15H24 |
204.35 g/mol |
CC1=C2CCC(C2CCC1(C)C)(C)C=C |
|
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 |
|
|
TCMBANKIN023376 |
pinol |
|
C10H16O |
152.23 |
CC1=CCC2CC1OC2(C)C |
|
TCMBANKIN023629 |
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid |
3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid; Prestwick1_000472; SPBio_002543; Prestwick0_000472; 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid; Prestwick2_000472; 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid |
C9H17NO5 |
219.24 |
CC(C)(CO)C(C(=O)NCCC(=O)O)O |
|
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 |
|
TCMBANKIN023647 |
Dehydroxylinalool oxide A |
(6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyloxane; (6R)-2,2,6-trimethyl-6-vinyltetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyl-oxane |
C10H18O |
154.25 |
CC1(CCCC(O1)(C)C=C)C |
|
TCMBANKIN023663 |
Methylenetanshinquinone |
Tanshinquinone, methylene-; 1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 67656-29-5; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-; methylene tanshinquinone; Methylene tanshinquinone; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; methylenetanshinquinone |
C18H14O3 |
278.3 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
|
TCMBANKIN023690 |
Ulmoside_qt |
|
C21H32O14 |
508.47 |
|
|
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 |
|
|
TCMBANKIN024010 |
cedryl acetate |
8-β-H-Cedran-8-ol acetate |
C17H28O2 |
264.4 |
CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C |
|
TCMBANKIN024101 |
dihydrodioscorine |
|
C13H21NO2 |
223.31 g/mol |
CC1CC(=O)OC2(C1)CC3CCC2CN3C |
|
TCMBANKIN024131 |
jioglutolide |
|
C9H14O4 |
186.2 g/mol |
CC1(CC(C2C1COC(=O)C2)O)O |
|
TCMBANKIN024189 |
8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-coumarin |
8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxy-chromen-2-one; ZINC02154253; 8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxychromen-2-one; 8-[[(2S)-3,3-dimethyl-2-oxiranyl]methyl]-7-methoxy-2-chromenone |
C15H16O4 |
260.29 |
CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C |
|
TCMBANKIN024207 |
4,6,7-trimethoxy-5-methyl-2H-chromen-2-one |
|
C13H14O5 |
250.25 g/mol |
CC1=C2C(=CC(=C1OC)OC)OC(=O)C=C2OC |
|
TCMBANKIN024344 |
DMEP |
benzene-1,2-dicarboxylic acid bis(2-methoxyethyl) ester; AI3-01366; Phthalic acid, bis(2-methoxyethyl) ester; ZINC01577177; AI3-01366 (USDA); ST5406816; Di(2-methoxyethyl) phthalate; Phthalic acid, di(methoxyethyl) ester; 36934_RIEDEL; HSDB 5016; Dimethoxy ethyl phthalate; Di(2-methoxyethyl)phthalate; Dimethoxyethyl phthalate; 4-09-00-03241 (Beilstein Handbook Reference); EINECS 204-212-6; Kodaflex DMEP; Di-(2-methoxyethyl)phthalate; Di-(2-Methoxyethyl) ester kyseliny ftalove [Czech]; BRN 2056929; 2-Methoxyethyl phthalate; Kesscoflex MCP; Phthalic acid, bis(2-methoxyethyl) ester (8CI); 117-82-8; Bis(methoxyethyl) phthalate; NSC 2147; Dimethyl cellosolve phthalate; Dimethylglycol phthalate; 1,2-Benzenedicarboxylic acid, bis(2-methoxyethyl) ester; Di-(2-methoxyethyl)ester kyseliny ftalove [Czech]; WLN: 1O2OVR BVO2O1; Bis(methylglycol) phthalate; Bis(2-methoxyethyl) phthalate; Methyl glycol phthalate; NSC2147; 80050_FLUKA; Methox; NCGC00090803-01; bis(2-methoxyethyl) benzene-1,2-dicarboxylate |
C14H18O6 |
282.29 |
COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC |
|
TCMBANKIN024349 |
(Z)-1,3-di(phenyl)prop-2-en-1-one |
NSC263508; 614-46-0 |
C15H12O |
208.26 |
C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 |
|
TCMBANKIN024356 |
Paraldehyde |
|
C6H12O3 |
132.16 |
CC1OC(OC(O1)C)C |
|
TCMBANKIN024501 |
1,4,6-trimethyl-1,2,3,4-tetralin |
|
|
174.31 |
|
|
TCMBANKIN024554 |
3-methyl-6-sec-butyl-2,5-piperazinedione |
|
|
184.27 |
|
|
TCMBANKIN024587 |
DLA |
Lactic acid, D-; D-Lactic acid; (R)-Lactic acid; Propanoic acid, 2-hydroxy-,; CHEBI:42111; (-)-Lactic acid; EINECS 233-713-2; Poly-(L-lactide); 93578_FLUKA; Poly(L-lactide); 95468_FLUKA; (R)-2-Hydroxypropanoic acid; D-2-Hydroxypropanoic acid; (2R)-2-hydroxypropanoic acid; Propanoic acid, 2-hydroxy-, (2R)-; L0625_SIGMA; D-(-)-Lactic acid; P1566_SIGMA; (R)-2-Hydroxypropionsaeure; D-Milchsaeure; 1-Lactic acid; (R)-alpha-Hydroxypropionic acid; 531170_ALDRICH; (R)-(-)-Lactic acid; D-(−)-Lactic acid; Lactel BP-0600; C00256; D-2-Hydroxypropionic acid; (R)-2-Hydroxypropionic acid; Lactic acid (D); 94829_FLUKA; (R)-Milchsaeure; L-Lactide polymer; Propanoic acid, 2-hydroxy-, (R)-; (D)-(-)-Lactic acid |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN024806 |
gamma-Terpinyl acetate |
(1-methyl-4-propan-2-ylidene-cyclohexyl) ethanoate; (4-isopropylidene-1-methyl-cyclohexyl) acetate; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate; 1-Methyl-4-(1-methylethylidene)cyclohexyl acetate; acetic acid (4-isopropylidene-1-methyl-cyclohexyl) ester; acetic acid (4-isopropylidene-1-methylcyclohexyl) ester; (1-methyl-4-propan-2-ylidenecyclohexyl) acetate; LMPR01020101; C12302; 10235-63-9; EINECS 233-564-3; p-Menth-4-en-1-yl acetate |
C12H20O2 |
196.29 |
CC(=C1CCC(CC1)(C)OC(=O)C)C |
|
TCMBANKIN024837 |
1,1-DIMETHOXY-2-METHYLPROPANE |
Isobutylaldehyde dimethyl acetal; 1,1-dimethoxy-2-methyl-propane; Propane, 1,1-dimethoxy-2-methyl-; 41632-89-7 |
C6H14O2 |
118.17 g/mol |
CC(C)C(OC)OC |
|
TCMBANKIN024860 |
ZINC04073977 |
(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
C29H48O |
412.69 |
|
|
TCMBANKIN024904 |
L-()-2,3-Butanediol |
ZINC00901619; 300349_ALDRICH; CHEBI:16812; (S,S)-(+)-2,3-butanediol; (S,S)-Butane-2,3-diol; (2S,3S)-()-2,3-Butanediol; 18967_FLUKA; C03046; (2S,3S)-butane-2,3-diol; (S,S)-2,3-Butylene glycol; (S,S)-2,3-Butanediol; 19132-06-0 |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
TCMBANKIN024941 |
paeonin,b_qt |
|
|
196.22 |
|
|
TCMBANKIN024946 |
sesquicineole |
|
C15H26O |
222.37 g/mol |
CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
|
TCMBANKIN025024 |
isopulegone |
Isopulegone (natural); 5-methyl-2-(1-methylethenyl)-cyclohexanone; SCHEMBL17067705; Isopulegone, (-)-; (-)-Isopulegone; ZINC100075758; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans- (9CI); (2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; AHQ6120987; 2-Isopropenyl-5-methylcyclohexanone #; 17882-43-8; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S-trans)-; trans-5-Methyl-2-(1-methylethenyl)cyclohexanone; 3alpha-Methyl-6beta-isopropenylcyclohexanone; 1-Isopropyl-4-methyl-2-cyclohexanone; trans-5-Methyl-2-(1-methylvinyl)cyclohexan-1-one; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S,5R)-; 8(9)-p-Menthen-3-one, delta-; UNII-AHQ6120987; pulegone; RMIANEGNSBUGDJ-BDAKNGLRSA-N; 29606-79-9; p-Menth-8-en-3-one, (1R,4S)-(-)-; UNII-681XD66YSR component RMIANEGNSBUGDJ-BDAKNGLRSA-N; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-; p-MENTH-8-EN-3-ONE, trans- |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN025111 |
(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1R,8R)-pyrrolizidin-1-yl]methyl ester |
(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; 487-99-0; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(2S*,3R*),7abeta))- |
C15H27NO4 |
285.38 |
CC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O |
|
TCMBANKIN025118 |
3S,5R-dihydroxy -6R,7-megstigmadien-9-one |
|
|
224.33 |
|
|
TCMBANKIN025131 |
3-Pentanol,2,3-dimethyl- |
|
C7H16O |
116.2 g/mol |
CCC(C)(C(C)C)O |
|
TCMBANKIN025200 |
(2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one |
ZINC00519174; (2R)-7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone |
C15H12O4 |
256.25 |
|
|
TCMBANKIN025224 |
hastatoside_qt |
|
C17H24O11 |
404.37 |
|
|
TCMBANKIN025253 |
deoxyisoartemisinin b |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN025327 |
melampyroside_qt |
|
C22H26O10 |
450.44 |
|
|
TCMBANKIN025340 |
(E)-linalool oxide acetate pyr |
[(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] acetate; trans-Linalool oxide (pyranoid), acetate; [(3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl] ethanoate; [(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate; trans-Linalool oxide acetate (pyranoid); acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] ester; acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranyl] ester |
C10H18O2 |
170.25 |
CC(=O)OC1CCC(OC1(C)C)(C)C=C |
|
TCMBANKIN025403 |
trans-4-hydroxycyclohexanc-1-carboxylic acid |
|
C7H12O3 |
144.19 |
|
|
TCMBANKIN025409 |
(-)-Drimenol |
(-)-Drim-7-en-11-ol; ACon1_002057; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-; (1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol; delta7,(8)-15-Hydroxyiresane; [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-; 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- |
C15H26O |
222.37 |
CC1=CCC2C(CCCC2(C1CO)C)(C)C |
|
TCMBANKIN025530 |
Tetradecahydro-1-methylphenanthrene |
|
C15H26 |
206.37 g/mol |
CC1CCCC2C1CCC3C2CCCC3 |
|
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 |
|
TCMBANKIN025685 |
butyl 3-hydroxybutanoate |
|
C8H16O3 |
160.21 |
CCCCOC(=O)CC(C)O |
|
TCMBANKIN025914 |
cedrenol |
1H-3a,7-Methanoazulen-5-ol, octahydro-6-methylene-3,8,8-trimethyl-; 28231-03-0; AC1L3PKE; Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol; EINECS 248-917-7; DJYWGTBEZVORGE-UHFFFAOYSA-N; Cedr-8(15)-en-9-ol; 13567-41-4; 1405-91-0; LS-90491; 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-; 2,6,6-TRIMETHYL-8-METHYLIDENETRICYCLO[5.3.1.0(1),?]UNDECAN-9-OL; Cedr-8(15)-en-9-ol (8CI); AC1Q79EL; (+)-8(15)-Cedren-9-ol; SCHEMBL3504932; Octahydro-6-methylene-3,8,8-trimethyl-1H-3a,7-methanoazulen-5-ol; Cedrenol |
C15H24O |
220.35 |
CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O |
|
TCMBANKIN025926 |
7, 8-dihydroxy-4,5-dimethyl-3,4-dihydronaphthalen-1( 2H ) -one |
|
C15H22O |
218.33 |
CC1CCC(=O)C2=C1C(=CC(=C2O)O)C |
|
TCMBANKIN025993 |
l-Verbenone |
1196-01-6; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one; ZINC00967601; (1S,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-; AI3-23128; (1S,5S)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; Verbenone, (L)-; Pin-2-en-4-one; BB_NC-0220; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H; NSC 6831; EINECS 214-807-2 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN026017 |
h-Met-h |
L-2-Amino-4methylthiobutyric acid; (2S)-2-amino-4-(methylthio)butanoic acid; NSC 22946; Methionine (USP); L-Methionine Z (TN); 2-Amino-4-methylthiobutanoic acid (S)-; L-Methionine-35S; Metionina [DCIT]; 24425-78-3; h-Met-oh; M9625_SIAL; (S)-methionine; nchembio816-comp7; Acimethin; (35S)Methionine; S-Methyl-L-homocysteine; Toxin WAR (Bacillus thuringiensis strain PS205C); Soft tissue sarcoma-associated protein (human clone WO2004048938-SEQID-1139); M8439_SIAL; (L)-Methionine; (2S)-2-amino-4-(methylthio)butyric acid; 3654-96-4; 64319_FLUKA; L-Methionine Z; 58576-49-1; EINECS 200-562-9; NCGC00160620-01; (S)-(+)-Methionine; (2S)-2-amino-4-methylsulfanylbutanoic acid; C00073; C-11 Met; Poly-L-methionine; Polymethionine; L-Homocysteine, S-methyl-; HSDB 4317; L-alpha-Amino-gamma-methylmercaptobutyric acid; D00019; CCRIS 5536; L-gamma-Methylthio-alpha-aminobutyric acid; L-Methionine, labeled with carbon-11; (S)-2-amino-4-(methylthio)butyric acid; NSC 118113; nchembio.2007.56-comp4; gamma-Methylthio-alpha-aminobutyric acid; Methionine [USAN:INN]; L-Methioninum; carbon-11 methionine; (S)-2-Amino-4-(methylmercapto)butyric acid; CCRIS 5528; 26062-47-5; C-11 Methionine; Methionine (VAN); (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoic acid; Methionine C 11; 2-Amino-4-(methylthio)butyric acid, (S)-; Liquimeth; Methioninum [INN-Latin]; L-2-Amino-4-(methylthio)butanoic acid; Methionine, L- (8CI); L(-)-Amino-gamma-methylthiobutyric acid; L-Methionin; InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8; CHEBI:16643; M5308_SIGMA; L-Methionine, homopolymer; L-Methionine (JP15); L-alpha-Amino-gamma-methylthiobutyric acid |
C5H11NO2S |
149.21 g/mol |
CSCCC(C(=O)O)N |
|
TCMBANKIN026023 |
2,4-dihydroxy-5-methoxybenzophenone |
2,4-dihydroxy-5-methoxy-benzo-phenone |
C14H12O4 |
244.24 g/mol |
COC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)O |
|
TCMBANKIN026031 |
cis-5-Hydroxy-p-menth-1(6)-en-2-one |
(4S,5R)-4-hydroxy-5-isopropyl-2-methyl-1-cyclohex-2-enone; (4S,5R)-4-hydroxy-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one; (4S,5R)-4-hydroxy-5-isopropyl-2-methyl-cyclohex-2-en-1-one; (4S,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one |
C10H16O2 |
168.23 g/mol |
CC1=CC(C(CC1=O)C(C)C)O |
|
TCMBANKIN026047 |
linalool oxide, trans-pyranoid |
(3R,6S)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6S)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; linalool oxide IV (trans, pyranoid); (3R,6S)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol |
C10H18O2 |
170.25 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
TCMBANKIN026084 |
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol |
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol |
|
222.36 |
|
|
TCMBANKIN026109 |
(3S)-3-butyl-3H-isobenzofuran-1-one |
(3S)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN026137 |
shionoside B_qt |
|
|
240.33 |
|
|
TCMBANKIN026160 |
ZINC01850974 |
|
C10H16O |
152.23 |
|
|
TCMBANKIN026206 |
XYLOSTOSIDINE_qt |
|
|
253.35 |
|
|
TCMBANKIN026257 |
3,3-Dimethylpent-1-ene |
3,3-Dimethyl-1-pentene; NSC74136; 1-Pentene, 3,3-dimethyl-; 3404-73-7; EINECS 222-286-8 |
C7H14 |
98.19 |
CCC(C)(C)C=C |
|
TCMBANKIN026303 |
BBV-029618 |
|
C4H7ClO4S |
186.61 |
|
|
TCMBANKIN026346 |
(1S,2S)-2-ethylcyclohexan-1-ol |
(1S,2S)-2-ethyl-1-cyclohexanol; ZINC01690976 |
C8H16O |
128.21 |
|
|
TCMBANKIN026370 |
(1R,4S,4aR)-1-isopropyl-4-methyl-7-methylene-2,3,4,4a,5,6-hexahydro-1H-naphthalene |
(1R,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN026535 |
[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] propanoate |
propanoic acid [(1S,2S,4S)-1,7,7-trimethyl-2-norbornanyl] ester; [(1S,4S,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] propanoate |
C13H22O2 |
210.31 |
|
|
TCMBANKIN026561 |
R-methyl 2-pyrrolidin-2-yl-acetate |
|
C12H21NO4 |
243.3 |
|
|
TCMBANKIN026654 |
Parthenin |
InChI=1/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s; (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione; C09523; azuleno[4,5-b]furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,9aS,9bR)-; (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[7,8-d]furan-2,9-dione; (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[7,8-d]furan-2,9-quinone; LMPR01030024; (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[7,8-d]furan-2,9-dione; parthenin |
C15H18O4 |
262.3 |
CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C |
|
TCMBANKIN026717 |
sparassol |
methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 |
C10H12O4 |
196.2 g/mol |
CC1=CC(=CC(=C1C(=O)OC)O)OC |
|
TCMBANKIN026797 |
-cis-.beta.-Elemene diastereomer |
(1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane; (1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane; (1S,2R,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN026812 |
(S)-4-Nonanolide |
104-61-0; (5S)-5-pentyloxolan-2-one; gamma-Nonalactone; (5S)-5-pentyltetrahydrofuran-2-one; Dihydro-5-pentyl-2(3H)-furanone; 74314_FLUKA; (5S)-5-amyltetrahydrofuran-2-one; C08501; (S)-gamma-Pentyl-gamma-butyrolactone; (S)-Dihydro-5-pentyl-2(3H)-furanone; (5S)-5-pentyl-2-tetrahydrofuranone |
C9H16O2 |
156.22 |
CCCCCC1CCC(=O)O1 |
|
TCMBANKIN026842 |
(2S)-2-amyl-2-methyl-oxirane |
(2S)-2-methyl-2-pentyloxirane; (2S)-2-methyl-2-pentyl-oxirane |
C8H16O |
128.21 |
|
|
TCMBANKIN026943 |
Dodecahydropyrido [1,2-b]isoquinolin -6-one |
|
C13H21NO |
207.31 g/mol |
C1CCC2C(C1)CC3CCCCN3C2=O |
|
TCMBANKIN026979 |
(1R,4S)-Iso-dihydrocarvone |
C11412; (2R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5S)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5S)-5-isopropenyl-2-methyl-cyclohexan-1-one; LMPR01020085; (2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
C10H16O |
152.23 g/mol |
CC1CCC(CC1=O)C(=C)C |
|
TCMBANKIN027128 |
aucubigenin |
64274-28-8; (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol; Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-; (1R,4aR,5S,7aS)-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol |
C9H12O4 |
184.19 |
C1=COC(C2C1C(C=C2CO)O)O |
|
TCMBANKIN027150 |
BDF |
Fructose, pyranose form; (2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; CHEBI:41005; Frutabs; 7660-25-5; (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; ZINC03861095; Fructopyranose, beta-D-; beta-D-Fructopyranose; HSDB 526; BRN 1423189; 4-01-00-04402 (Beilstein Handbook Reference); (2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol |
C6H12O6 |
180.16 |
C1C(C(C(C(O1)(CO)O)O)O)O |
|
TCMBANKIN027222 |
qinghaosu iv |
|
C15H22O5 |
282.33 |
CC1CCC2C(C(=O)OC3C24C1CC(C(O3)(O4)C)O)C |
|
TCMBANKIN027224 |
erysodienone |
|
C18H19NO4 |
313.35 |
COC1=C(C=C2CCN3CCC4=CC(=O)C(=CC43C2=C1)OC)O |
|
TCMBANKIN027230 |
Cyclohexanol,4-methoxy |
|
C7H14O2 |
130.18 |
COC1CCC(CC1)O |
|
TCMBANKIN027260 |
flavane-3,4-diol |
Leucoanthocyanins |
|
242.29 |
|
|
TCMBANKIN027292 |
dihydroepideoxyarteannuin b |
dihydro-epi-deoxyarteannuin b |
C15H22O2 |
234.33 |
CC1CCC2C(C(=O)OC23C1CCC(=C3)C)C |
|
TCMBANKIN027298 |
Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone |
2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698 |
C8H12N4O |
180.21 |
CC1=CC(=O)NC(=N1)NN=C(C)C |
|
TCMBANKIN027309 |
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN027364 |
DS |
C14706; Diethyl sulfate [UN1594] [Poison]; DIETHYLSULFATE; Sulfuric acid, diethyl ester; WLN: 2OSWO2; InChI=1/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H; CCRIS 242; Ethyl sulfate; NSC56380; Diaethylsulfat; AI3-15355; Diethyl tetraoxosulfate; Diethylester kyseliny sirove [Czech]; 182115-04-4; NSC 56380; EINECS 200-589-6; sulfuric acid diethyl ester; DES (VAN); Diethyl sulphate; 64-67-5; UN1594; 98503-29-8; 320285_ALDRICH; HSDB 1636; D100706_ALDRICH; Diaethylsulfat [German]; 32520_FLUKA; NCGC00164138-01; Diethyl sulfate |
C4H10O4S |
154.18 |
CCOS(=O)(=O)OCC |
|
TCMBANKIN027411 |
leonticine |
|
C20H25NO3 |
327.42 |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
|
TCMBANKIN027416 |
deta-elemene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN027454 |
trans-1,2-Cyclopentanediol |
()-trans-1,2-Cyclopentanediol; 459259_ALDRICH; 29722_FLUKA; 1,2-Cyclopentanediol, trans-; 361445_ALDRICH; 29725_FLUKA; NSC15389; 5057-99-8; (1R,2R)-cyclopentane-1,2-diol; (1R,2R)-trans-1,2-Cyclopentanediol |
C5H10O2 |
102.13 |
C1CC(C(C1)O)O |
|
TCMBANKIN027559 |
p-mentha-1,5-dien-8-ol |
p-Mentha-1, 5-dien-8-ol |
C10H16O |
152.23 g/mol |
CC1=CCC(C=C1)C(C)(C)O |
|
TCMBANKIN027592 |
santolina triene |
Santolinatriene |
C10H16 |
136.23 |
CC(=CC(C=C)C(=C)C)C |
|
TCMBANKIN027745 |
diosbulbin D |
|
C19H20O6 |
344.36 |
CC12CC(OC(=O)C1CC(=O)C3C2CC4CC3C(=O)O4)C5=COC=C5 |
|
TCMBANKIN027794 |
eudesmol |
Eudesmol; IGDPRNLDNSDIJI-HNQLUHSGSA-N; 2-Naphthalenemethanol, decahydro-.alpha.,.alpha.,4a,8-tetramethyl-, didehydro deriv., [2R-(2.alpha.,4a.alpha.,8a.beta.)]-; 2-[(2S,4aR)-4a,8-dimethyl-2,5,8,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol; beta-Eudesmol; AC1O5EEN |
C15H24O |
220.35 g/mol |
CC1C=CCC2(C1CC(C=C2)C(C)(C)O)C |
|
TCMBANKIN027871 |
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
|
C15H20O |
216.32 |
|
|
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 |
|
TCMBANKIN027968 |
tuberostemoamide |
|
C17H23NO4 |
305.37 |
|
|
TCMBANKIN028120 |
Matatabiether |
2,5-dimethyl-9-methylidene-4-oxabicyclo[3.3.1]nonane; matatabiether; AC1NSXW1 |
|
166.29 |
CC1COC2(CCCC1C2=C)C |
|
TCMBANKIN028172 |
(1S,4aS,8aS)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
|
222.41 |
|
|
TCMBANKIN028190 |
Helenalin |
{Azuleno[6,} 5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a, 8-dimethyl-3-methylene-, {[3aS-(3a.alpha.,4.alpha.,4a.beta.,} 7a.alpha.,8.alpha.,9a.alpha.)]-; NSC 85236; NCGC00163416-01; C09473; HSDB 3490; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; CHEMBL1911137; PF 56; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; MEGxp0_001631; SMR000445626; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha., 8.beta.-dihydroxy-4-oxo-, 12,8-lactone; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-; WLN: T C575 DYVO MV KUTJ A1 BQ DU1 I1; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-Octahydro-4-hydroxy-4abeta,8 alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; AIDS125803; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-; 4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; 6754-13-8; BRN 0028081; NCI60_041870; 8-Epihelenalin; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; CHEBI:69336; 8-epi-Helenalin; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))- (9CI); NSC85236; (3aS,4S,4aR,7aR,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone (8CI); BSPBio_001312; MLS000728512; AIDS-125803; 4-18-00-01434 (Beilstein Handbook Reference); (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-quinone; helenalin |
C15H18O4 |
262.3 |
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2 |
|
TCMBANKIN028304 |
2-(2-butynyl)-cyclohexanone |
|
C10H14O |
150.22 |
CC#CCC1CCCCC1=O |
|
TCMBANKIN028373 |
4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol |
|
|
222.41 |
|
|
TCMBANKIN028425 |
4-(3-methylbut-2-enyl)-1H-indole |
4-(3-Methyl-2-butenyl)-1H-indole; 1H-Indole, 4-(3-methyl-2-butenyl)- |
C13H15N |
185.26 g/mol |
CC(=CCC1=C2C=CNC2=CC=C1)C |
|
TCMBANKIN028477 |
(-)-Pulegone |
(5S)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one; 328847_ALDRICH; (S)-p-Menth-4(8)-en-3-one; (S)-2-Isopropylidene-5-methylcyclohexanone; 3391-90-0; InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H; Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-; (5S)-2-isopropylidene-5-methyl-1-cyclohexanone; (−)-Pulegone; ZINC01531630; 82579_FLUKA; (S)-(−)-Pulegone; (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one; (5S)-2-isopropylidene-5-methyl-cyclohexan-1-one |
C10H16O |
152.23 |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN028499 |
7-hydroxy-9-hydroxymethyl-3-oxo- |
|
|
182.24 |
|
|
TCMBANKIN028720 |
1-hydroxy-6-hydroxymethylanthracenequinone |
|
|
254.25 |
|
|
TCMBANKIN028732 |
Methyl 5,8,11-heptadecatriynoate |
5,8,11-Heptadecatriynoic acid, methyl ester; methyl heptadeca-5,8,11-triynoate; heptadeca-5,8,11-triynoic acid methyl ester |
C18H24O2 |
272.38 |
CCCCCC#CCC#CCC#CCCCC(=O)OC |
|
TCMBANKIN028892 |
(2S)-2-ammonio-4-[(R)-methylsulfinyl]butyrate |
(2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate; (2S)-2-ammonio-4-[(R)-methylsulfinyl]butanoate; ZINC01529567 |
C5H11NO4S |
181.21 |
CS(=O)CCC(C(=O)[O-])[NH3+] |
|
TCMBANKIN028899 |
(+)-(Z)-Methyl epijasmonate |
methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate; methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate; 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester; 2-[(1S,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester |
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN029053 |
(1R)-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid |
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid |
C12H12N2O2 |
216.24 |
|
|
TCMBANKIN029058 |
linalyl isobutyrate |
Linalyl isobutyrate |
C14H24O2 |
224.34 |
CC(C)C(=O)OC(C)(CCC=C(C)C)C=C |
|
TCMBANKIN029103 |
1,6-dimethyl-1-isopropyl-1,2,3,4,4a,7-hexahydronaphthalene |
|
|
204.39 |
|
|
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 |
|
|
TCMBANKIN029315 |
isodihydrocostunolide |
|
C15H22O2 |
234.33 g/mol |
CC1CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
TCMBANKIN029408 |
Polymethylglutamate |
27056-76-4; SBB006716; L-Glutamic acid, 5-methyl ester, homopolymer; Glutamic acid, 5-methyl ester, homopolymer; 111468-12-3; 25086-16-2; NCGC00160470-01; 215309-16-3; Poly-gamma-methyl glutamate |
C6H11NO4 |
161.16 g/mol |
COC(=O)CCC(C(=O)O)N |
|
TCMBANKIN029481 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
TCMBANKIN029575 |
sessilifoliamide A |
|
C17H25NO4 |
307.4 g/mol |
CCC1C2C3CCC(=O)N3CCCC2OC14CC(C(=O)O4)C |
|
TCMBANKIN029637 |
IPMC |
OMS-33; 2-Isopropoxyphenyl methylcarbamate; SPBio_001104; 2-Isopropoxyphenyl N-methylcarbamate; KBio2_007594; O-(2-Isopropoxyphenyl) N-methylcarbamate; C14334; Bay 9010; NCGC00094544-02; Blattosep; (2-propan-2-yloxyphenyl) N-methylcarbamate; Caswell No. 508; Boruho 50; Mrowkozol; Spectrum3_000857; CCRIS 1392; Propotox; ENT 25,671; Invisi-Gard; HSDB 603; Chemagro 9010; Carbamic acid, methyl-, o-isopropoxyphenyl ester; PHC 7; (2-isopropoxyphenyl) N-methylcarbamate; BSPBio_002473; Blattanex; SpecPlus_000554; Unden (pesticide); Spectrum2_001232; PS551_SUPELCO; Baygon; KBio1_001594; BAY 5122; o-IMPC; NSC379584; CHEBI:34938; Propoxylor; Propoxure; EPA Pesticide Chemical Code 047802; KBioSS_002465; 45644_RIEDEL; NSC 379584; KBio2_002458; o-Isopropoxyphenyl N-methylcarbamate; Brygou; Propoksuru [Polish]; NCGC00094544-03; Phenol, 2-(1-methylethoxy)-, methylcarbamate; Sendran; AI3-25671; DivK1c_006650; 114-26-1; Spectrum4_000697; KBio2_005026; 2-(1-methylethoxy)phenyl methylcarbamate; Baygone; Bolfo; EINECS 204-043-8; KBioGR_001193; 2-Isopropoxyphenyl-N-methylcarbamat [German]; Tugon fliegenkugel; KBio3_001973; Aprocarb; 2-(propan-2-yloxy)phenyl methylcarbamate; NCGC00094544-01; PHC (carbamate); o-Isopropoxyphenyl methylcarbamate; 2-(1-Methylethoxy)phenol methylcarbamate; BRN 1879891; Bayer 39007; BAY 39007; 2-Isopropoxyphenyl-N-methylcarbamate; PROPOXUR; Isocarb; Propyon; Unden 50PM; Bifex; Phenol, o-isopropoxy-, methylcarbamate; Spectrum5_002032; Rhoden; Suncide; Propoxur [BAN]; Dalf dust; Boruho; Bayer B 5122; N-methylcarbamic acid (2-isopropoxyphenyl) ester; Spectrum_001923; SPECTRUM330066; 2-[(1-methylethyl)oxy]phenyl methylcarbamate |
C11H15NO3 |
209.24 |
CC(C)OC1=CC=CC=C1OC(=O)NC |
|
TCMBANKIN029775 |
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril |
4,8-dimethoxy-3-(3-methyl-2-oxo-but-3-enyl)-1H-quinolin-2-one; 4,8-dimethoxy-3-(3-methyl-2-oxobut-3-enyl)-1H-quinolin-2-one |
|
287.34 |
|
|
TCMBANKIN029822 |
(Z)-3-(3,4,5-trimethoxyphenyl)acrylic acid |
MEGxp0_001181; (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid; ACon1_001134 |
C12H14O5 |
238.24 |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
|
TCMBANKIN029835 |
2-Methyl-6-hepten-3-ol |
|
C8H16O |
128.21 |
CC(C)C(CCC=C)O |
|
TCMBANKIN029853 |
(S)-2-Aminobutanoate |
(S)-2-Aminobutanoic acid; (2S)-2-aminobutanoic acid; L-(+)-2-aminobutyric acid; CHEBI:35619; L-2-Aminobuttersaeure; (S)-2-Aminobutyric acid; Butanoic acid, 2-amino-, (2S)-; L-alpha-Aminobutyrate; EINECS 216-083-3; A1879_SIGMA; L-alpha-Aminobutyric acid; Butanoic acid, 2-amino-, (S)- (9CI); (2S)-2-aminobutyric acid; A2536_SIGMA; NSC 97060; LMFA01100034; Butyric acid, 2-amino-, L- (8CI); 2S-amino-butanoic acid; nchembio856-comp2; C02356; (S)-2-Amino-butyric acid; (-)-2-Aminobutyric acid; L-alpha-Amino-n-butyric acid |
C4H9NO2 |
103.12 |
CCC(C(=O)O)N |
|
TCMBANKIN029859 |
cornin_qt |
verbenalin_qt |
C17H24O10 |
388.37 |
|
|
TCMBANKIN029891 |
methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate |
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butyric acid methyl ester; methyl 4-[2-methanoyl-5-(methoxymethyl)pyrrol-1-yl]butanoate; 4-[2-formyl-5-(methoxymethyl)-1-pyrrolyl]butanoic acid methyl ester |
|
239.3 |
|
|
TCMBANKIN029946 |
9-ethoxy-10-oxatricyclo[7.2.1.0(1,6)]dodecan-11-one |
9-Ethoxy-10-oxatricyclo[ 7.2.1.0(1, 6)] dodecan-11-one |
C13H20O3 |
224.3 g/mol |
CCOC12CCC3CCCCC3(C1)C(=O)O2 |
|
TCMBANKIN030004 |
Metacyl |
6-methyl-1H-pyrimidine-2,4-dione; 2,4-Dihydroxy-6-methylpyrimidine; SBB004254; Pseudothymine (VAN); Methacyl; 15985-99-6; 2(1H)-Pyrimidinone, 4-hydroxy-6-methyl-; 2,4-Pyrimidinediol, 6-methyl-; Pseudothymine; 6-methylpyrimidine-2,4(1H,3H)-dione; NSC9456; AWD 23-15; 2,4(1H,3H)-Pyrimidinedione, 6-methyl-; AI3-25472; 78334-35-7; 6-Methyluracil; Uracil, 6-methyl-; ZINC00162484; AIDS020783; NSC 9456; 2(1H)-Pyrimidinone, 4-hydroxy-6-methyl- (8CI); WLN: T6MVMVJ F1; SBB004256; 6-Methyl-2,4(1H,3H)-pyrimidinedione; 626-48-2; D115207_ALDRICH; InChI=1/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9; EINECS 210-949-4; AB-323/25048156; HSDB 5508; AIDS-020783 |
C5H6N2O2 |
126.11 |
CC1=CC(=O)NC(=O)N1 |
|
TCMBANKIN030052 |
(2S)-2-ethoxypentane |
|
C7H16O |
116.2 |
|
|
TCMBANKIN030162 |
caryophellene |
cis-4,11,11-trimethyl-8-methylene-bicyclo[7,2,0]-undec-4-ene |
C15H24 |
204.35 |
|
|
TCMBANKIN030168 |
Methyl isovalerate |
W275301_ALDRICH; Methyl 3-methylbutanoate; 59900_FLUKA; 4-02-00-00897 (Beilstein Handbook Reference); METHYL (3-METHYL)BUTANOATE; FEMA No. 2753; 556-24-1; 36492_FLUKA; Methyl isovalerianate; Methyl isovalerate [UN2400] [Flammable liquid]; Isovaleric acid, methyl ester; Methyl isopentanoate; Methyl isovalerate (natural); ZINC00391144; 3-methylbutyric acid methyl ester; 3-methylbutanoic acid methyl ester; EINECS 209-117-3; Methyl 3-methylbutyrate; UN2400; InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H; BRN 1699922; Butanoic acid, 3-methyl-, methyl ester |
C6H12O2 |
116.16 |
CC(C)CC(=O)OC |
|
TCMBANKIN030306 |
(+)-L-Alliin |
L-Alanine, 3-[(S)-2-propenylsulfinyl]-; S-Allyl-L-cystein-S-oxid; (2R)-3-[(S)-allylsulfinyl]-2-amino-propionic acid; (2R)-3-[(S)-allylsulfinyl]-2-amino-propanoic acid; 3-(Allylsulfinyl)alanin; (S)-S-Allyl-L-cysteine sulfoxide; L-Alanine, 3-(2-propenylsulfinyl)-, (S)-; (2R)-3-[(S)-allylsulfinyl]-2-aminopropanoic acid; 74264_FLUKA; (S)-3-(Allylsulphinyl)-L-alanine; (2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid; EINECS 209-118-9 |
C6H11NO3S |
177.22 g/mol |
C=CCS(=O)CC(C(=O)O)N |
|
TCMBANKIN030337 |
TBU |
Trimethylcarbinol; 360538_SIAL; tertiary-Butanol; AI3-01288; T-BUTYL ALCOHOL; Butanol tertiaire [French]; c0516; Methyl-2-propanol; 2-Methyl-2-propanol solution; BRN 0906698; Methanol, trimethyl-; 1,1-Dimethylethanol; Trimethyl methanol; InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H; tert-Butyl alcohol; Trimethylmethanol; 442790_SUPELCO; tert-butylalcohol; 2-Methylpropan-2-ol; 2-Methyl-2-propanol; t-Butanol; 449032_ALDRICH; tert-Butanol; 33067_RIEDEL; EINECS 200-889-7; CHEBI:26878; t-Butylalkohol; 308250_ALDRICH; NCI-C55367; B85927_SIAL; Dimethylethanol; 4-01-00-01609 (Beilstein Handbook Reference); TERTIARY-BUTYL ALCOHOL; 19460_FLUKA; t-Butyl hydroxide; tertiary alcohol; <i>tert</i>-Butyl alcohol; 471712_ALDRICH; CCRIS 4755; Caswell No. 124A; tertiary alcohols; 75-65-0; Alcool butylique tertiaire [French]; HSDB 50; t-butyl alchohol; CHEBI:45895; Arconol; Trimethyl carbinol; ZINC01680021; 50621_FLUKA; (CH3)3C-OH; tert-Butanol solution; 2-Propanol, 2-methyl- |
C4H10O |
74.12 |
CC(C)(C)O |
|
TCMBANKIN030374 |
isostyracin epoxide |
|
C18H16O3 |
280.32 |
|
|
TCMBANKIN030591 |
(-)-(3R,8S,9R,9aS,10aS)-9-ethenyl-8-(beta-D-glucopyranosyloxy)-2,3,9,9a,10,10a-hexahydro-5-oxo-5H,8H-pyrano[4,3-d]oxazolo[3,2-a]pyridine-3-carboxylic acid_qt |
|
|
281.29 |
|
|
TCMBANKIN030603 |
Wilfordic acid |
AC1NSSX1; 2-(4-hydroxy-2-methyl-4-oxobutyl)pyridine-3-carboxylic acid; wilfordic acid; wilfordicacid |
|
223.25 |
CC(CC1=C(C=CC=N1)C(=O)O)CC(=O)O |
|
TCMBANKIN030787 |
ascaridole |
|
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN030797 |
Dunnisinin |
dunnisinin |
C11H14O5 |
226.23 g/mol |
COC(=O)C1COC2C3C1C=CC3(CO2)O |
|
TCMBANKIN030836 |
beta-D-Apiose |
CHEBI:27672; (2R,3R,4R)-4-methyloltetrahydrofuran-2,3,4-triol; C08346; (2R,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol; (2R,3R,4R)-4-(hydroxymethyl)tetrahydrofuran-2,3,4-triol; 3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranose |
C5H10O5 |
150.13 |
C1C(C(C(O1)O)O)(CO)O |
|
TCMBANKIN030845 |
neostemodiol |
|
C18H27NO5 |
337.41 |
|
|
TCMBANKIN030853 |
shiromodiol diacetate |
NSC707626; CHEMBL1980398; 20071-58-3; CHEBI:9136; C09725; DTXSID20543843; Shiromodiol diacetate; NSC-707626; (1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate; [(1S,2R,3R,4S,6E,10S)-2-acetoxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] acetate |
C19H30O5 |
338.44 |
CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C |
|
TCMBANKIN030882 |
rotundenol |
|
C15H24O |
220.35 |
CC1CCC2C1CC3CCC2(C(C3=C)O)C |
|
TCMBANKIN030931 |
1,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENE |
1,4,5-trimethyl-5,6-dialin; 1,2-dihydro-1,5,8-trimethylanaphthalene |
C13H16 |
172.27 g/mol |
CC1CC=CC2=C(C=CC(=C12)C)C |
|
TCMBANKIN030993 |
8-Hydroxycadalene |
|
C15H18O |
214.3 g/mol |
CC1=C2C(=CC(=CC2=C(C=C1)C(C)C)C)O |
|
TCMBANKIN031006 |
amomumoside_qt |
|
|
170.28 |
|
|
TCMBANKIN031037 |
Neohexane |
39740_FLUKA; 75-83-2; CCRIS 6019; AI3-16043; EINECS 200-906-8; D151408_ALDRICH; NCGC00091659-01; Butane, 2,2-dimethyl-; 2,2-Dimethylbutane; 39730_FLUKA; WLN: 2X1&1&1; HSDB 75; InChI=1/C6H14/c1-5-6(2,3)4/h5H2,1-4H; NSC74126; NSC 74126 |
C6H14 |
86.18 |
CCC(C)(C)C |
|
TCMBANKIN031041 |
petunidin 3-rhamnoglucoside |
|
|
625.61 |
|
|
TCMBANKIN031058 |
paeonin,a_qt |
|
|
210.25 |
|
|
TCMBANKIN031074 |
sabinol |
|
C10H16O |
152.23 |
CC(C)C12CC1C(=C)C(C2)O |
|
TCMBANKIN031136 |
Leucinum |
polyleucine; (S)-2-Amino-4-methylpentanoic acid; Leucine (H-3); 71000-80-1; 2-Amino-4-methylpentanoic acid (L); L-Norvaline, 4-methyl-; Leucina [Latin,Spanish]; NCI46709; L8912_SIGMA; (2S)-2-amino-4-methyl-pentanoic acid; L-Leucine, homopolymer; (14C)Leucine, L-; L-2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid (L); Leucine (USP); (2S)-2-amino-4-methylpentanoic acid; Leucine [USAN:INN]; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s; FEMA No. 3297; Leucina [INN-Spanish]; L-Leucine, labeled with tritium; C00123; Leucine (VAN); l-(14C)Leucine; 21675-61-6; 25248-98-0; L8000_SIGMA; (S)-2-Amino-4-methylvaleric acid; NSC-46709; (3H)Leucine; (2S)-2-amino-4-methyl-valeric acid; L-Leucin; 2-Amino-4-methyl-valeric acid; W329703_ALDRICH; L-alpha-Aminoisocaproic acid; L6914_SIAL; NCIStruc1_001860; NCIStruc2_000010; (S)-2-Amino-4-methyl-pentanoic acid; L-Leuzin; NCGC00013565; 14C-Leucine; L-Leucine (JP15); Poly(L-leucine); (S)-Leucine; Valeric acid, 2-amino-4-methyl-, (S)-; L-Leucine, labeled with carbon-14; CHEBI:15603; NSC 46709; 72706_FLUKA; D00030; AI3-08899; Leucinum [INN-Latin]; 61819_FLUKA; 70-45-1; alpha-aminoisocaproic acid; EINECS 200-522-0; Leucin [German]; 2-Amino-4-methylpentanoic acid, (S)- |
C6H13NO2 |
131.17 g/mol |
CC(C)CC(C(=O)O)N |
|
TCMBANKIN031142 |
Doederleinic acid |
(1S,2S,6R)-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-4-carboxylic acid; doederleinicacid; AC-20220; AKOS015965181; doederleinic acid |
C7H8O4 |
156.14 |
C1C2C(O2)C(C=C1C(=O)O)O |
|
TCMBANKIN031185 |
2,3-dimethoxy-2-methylbutane |
|
C7H16O2 |
132.2 |
CC(C(C)(C)OC)OC |
|
TCMBANKIN031220 |
OIN |
NSC61808 (HCL); Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-; D00147; 55-48-1 (SULFATE(2:1)); CHEBI:17486; [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester; 101-31-5 (FREE BASE); BSPBio_000305; [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate; AIDS012108; AIDS-012108; [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate; (2S)-3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; 101-31-5; Hyoscyamine (USP); (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE; C02046; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate; STOCK1N-53442; tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate; tropine, (-)-tropate; Prestwick_273; (2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; Prestwick3_000233; Hyoscyamine (L); BPBio1_000337; 5934-50-9 (HCL) |
C17H23NO3 |
289.37 |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
|
TCMBANKIN031225 |
guaiene |
beta-guaiene; β-guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN031306 |
kainic acid |
alpha- Kainic acid; K0250_SIGMA; Kainic acid monohydrate; (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate; SCHEMBL6081964; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; UPCMLD-DP146:001; D02546; Kainic acid hydrate; C12819; I519JC63XY; MLS001074661; NCGC00024504-05; 4-22-00-01523 (Beilstein Handbook Reference); rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; NSC136038; EU-0100656; (2S,3S,4R)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; NCGC00024504-03; Kainic acid [INN:JAN]; DTXSID50206732; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate, (2S-(2alpha,3beta,4beta))-; KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE; (-)-Kainic acid hydrate; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-2-pyrrolidinecarboxylic acid; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; SC-66129; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454-9; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid; BRN 0086660; NSC 136038; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; Lopac0_000656; Acide kainique [INN-French]; MolPort-009-018-775; 58002-62-3; L-alpha-Kainic acid; Kainic acid monohydrate, >=98% (HPLC), from Digenea simplex; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-; nchembio881-comp3; Digenin; HMS3649I10; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); Digenic acid; NCGC00024504-06; UPCMLD-DP146:002; Acido kainico [INN-Spanish]; BPBio1_001306; C10H15NO4.H2O; Kainic acid hydrate [JAN]; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline; 487-79-6; Kainic acid monohydrate, >=99% (TLC); (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid; 1810AH; Kainate; SMR000471885; Kainic Acid, Natural; UNII-I519JC63XY; 2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; Acidum kainicum [INN-Latin]; Kainic acid hydrate (JP17); 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; KAINIC ACID; Digenin (TN); (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; Helminal; Biomol-NT_000217 |
C10H15NO4 |
213.23 |
CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
|
TCMBANKIN031430 |
neodiosbulbin |
|
C19H20O6 |
344.36 |
|
|
TCMBANKIN031507 |
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate |
(E)-2-methylbut-2-enoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester |
C13H21NO2 |
223.31 |
|
|
TCMBANKIN031640 |
(4aS,9aS)-2,9,9-trimethyl-5-methylene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
(4aS,9aS)-2,9,9-trimethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
C15H24 |
204.35 |
|
|
TCMBANKIN031643 |
scopolamine |
Scopolamine; SCHEMBL14973563; l-Scopolamine-hydrobromide; BSPBio_000953; 1-.alpha.-H, 6-.beta.,7-.beta.-epoxy-,(-)-tropate (ester), hydrobromide; Tranaxine; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; SMP1_000270; Scopolamine hydrobromide; AIDS-002711; Hyoscine hydrobromide; SCHEMBL180182; NSC61806 (HBR); Scopamin; Sereen; Scopolammonium bromide; nchembio.78-comp19; (-)-Scopolamine hydrobromide; Prestwick3_000877; Euscopol; (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate; AIDS002711; Isoscopil; Hysco; SCOPOLAMINE BROMIDE; l-Hyoscine hydrobromide; 114-49-8 (HBR); [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; NSC-61806; Beldavrin; Tropane alkaloid; 1.alpha.H, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester), hydrobromide; Scopolaminium bromide; Scopos; Kwells; MLS000758270; Benzeneacetic acid; CHEBI:16794; WLN: T C356 A AN DOTJ A1 HOVYR & 1Q & EH; Benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-; 114-49-8; NSC61806; Hyoscinehydrobromide; 6b,7b-Epoxy-1a H,5a H-tropan-3a-ol (-)-tropate (ester) hydrobromide; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; BPBio1_001049; 6533-68-2 (HBR, TRIHYDRATE); Hyoscine bromide |
C17H21NO4 |
303.35 g/mol |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
|
TCMBANKIN031773 |
Aromadendrene oxide 2 |
11070_FLUKA |
C15H24O |
220.35 |
CC1CCC2C1C3C(C3(C)C)CCC24CO4 |
|
TCMBANKIN031882 |
plantarenaloside_qt |
|
|
198.24 |
|
|
TCMBANKIN031919 |
Ethone |
NCGC00166027-01; BRN 0605384; Orthoformic acid ethyl ester; 122-51-0; Orthomravencan ethylnaty; diethoxymethoxyethane; ZINC00391827; Ethyl orthoformate [UN2524] [Flammable liquid]; Orthoformic acid, ethyl ester; Ethyl formate(ortho); NSC5289; T60453_ALDRICH; Triethylester kyseliny orthomravenci [Czech]; Ethylester kyseliny orthomravenci; 1,1',1''-[methanetriyltris(oxy)]triethane; 304050_SIAL; Triethoxymethane; Ethane, 1,1',1''-(methylidynetris(oxy))tris-; ST5214400; 1,1',1'-(Methylidynetris(oxy))tris(ethane); InChI=1/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H; UN2524; Triethyl orthoformate; Aethon; AI3-24333; EINECS 204-550-4; 108055-42-1; 1,1,1-Triethoxymethane; Orthoformic acid triethyl ester; Orthoformic acid, triethyl ester; 4-02-00-00025 (Beilstein Handbook Reference); WLN: 2OYO2 & O2; Ethylester kyseliny orthomravenci [Czech]; Ethyl orthoformate; Ethane, 1,1',1''-[methylidynetris(oxy)]tris-; NSC 5289; 60388_RIEDEL; Orthoformic acid ethyl ester (VAN); Orthomravencan ethylnaty [Czech]; Methane, triethoxy-; 75530_FLUKA |
C7H16O3 |
148.2 g/mol |
CCOC(OCC)OCC |
|
TCMBANKIN031931 |
2,3-dihydropyrrolo,[2,1-b],quinazolin-9(1h)-one |
|
|
186.23 |
|
|
TCMBANKIN031938 |
(3R,4aS,5R,6R)-6-hydroxy-3-methoxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one |
(3R,4aS,5R,6R)-5-ethenyl-6-hydroxy-3-methoxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one |
|
226.25 |
|
|
TCMBANKIN031963 |
Amurensine |
10481-92-2; amurensine; C09333 |
C19H19NO4 |
325.36 |
C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)C=CC8=C9C(=CC1=C8C(C(O1)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)OC(=C9C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O |
|
TCMBANKIN032001 |
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate |
ZINC02041035; [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] acetate; acetic acid [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; acetic acid [(1S)-1,5-dimethyl-1-vinylhex-4-enyl] ester; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] ethanoate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN032028 |
sugeonyl acetate |
|
C17H24O3 |
276.4 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C |
|
TCMBANKIN032117 |
(1R,4E,7E,11R)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene |
|
C15H24O |
220.35 |
|
|
TCMBANKIN032223 |
Artelin |
|
C15H18O5 |
278.3 |
|
|
TCMBANKIN032254 |
(2S)-2,3-dihydroxypropanoic acid |
|
C3H6O4 |
106.08 |
C(C(C(=O)O)O)O |
|
TCMBANKIN032286 |
Magnograndiolide |
magnograndiolide; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; SCHEMBL18334098; CHEMBL2206436; (3as,6r,6ar,9r,9as,9bs)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; 92618-98-9; AC1NSXRC; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
C15H22O4 |
266.33 |
CC1(CCC2C(C3C1CCC3(C)O)OC(=O)C2=C)O |
|
TCMBANKIN032355 |
2-[(2S,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2S,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN032447 |
1-[(2S)-1-methyl-2-piperidyl]acetone |
1-[(2S)-1-methyl-2-piperidinyl]propan-2-one; 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one; 1-[(2S)-1-methyl-2-piperidyl]propan-2-one |
C9H17NO |
155.24 |
|
|
TCMBANKIN032510 |
coumaperine |
|
C16H19NO2 |
257.33 |
C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O |
|
TCMBANKIN032531 |
Tomentosin |
NCGC00168921-01; ACon1_000603; 7-Methyl-3-methylene-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one #; SCHEMBL10028477; CHEMBL483219; 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-, [3aR-(3a.alpha.,7.beta.,8a.alpha.)]-; AVFIYMSJDDGDBQ-UHFFFAOYSA-N; NCGC00168921-02!7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; (3aR,7S,8aR)-7-methyl-3-methylene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; MCULE-9975535341; MEGxp0_000589; (3aR,7S,8aR)-6-(3-ketobutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; 68736-88-9; Parthenium; tomentosin; 33649-15-9; MolPort-001-740-745; 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-; 7-METHYL-3-METHYLIDENE-6-(3-OXOBUTYL)-3AH,4H,7H,8H,8AH-CYCLOHEPTA[B]FURAN-2-ONE; AC1LBQ61; (3aR,7S,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one; 7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-, (3aR,7S,8aR)-; C09562; NP-001623 |
C15H20O3 |
248.32 |
CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2 |
|
TCMBANKIN032552 |
N,O,O-trimethylsparsiflorine |
|
C20H23NO3 |
325.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)OC)OC)OC |
|
TCMBANKIN032576 |
3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate |
33627-41-7; acetic acid 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl ester; 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl acetate; acetic acid 3-[(3aS,4R,5R,8aR)-4-hydroxy-2-keto-5,7-dimethyl-3-methylene-4,5,8,8a-tetrahydro-3aH-cyclohepta[d]furan-6-yl]propyl ester; 3-[(3aS,4R,5R,8aR)-4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]propyl ethanoate; C09483 |
C17H24O5 |
308.37 |
CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C |
|
TCMBANKIN032596 |
aristolactam-N-β-D-glucopyanoside_qt |
|
|
309.29 |
|
|
TCMBANKIN032624 |
(-)-isoperitenone |
C02485; (-)-Isopiperitenone; (6R)-6-isopropenyl-3-methyl-1-cyclohex-2-enone; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H; (4R)-p-mentha-1,8-dien-3-one; (6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one; CHEBI:15408; (6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one; 6-isopropenyl-3-methylcyclohex-2-en-1-one; (-)-(4R)-Isopiperitenone; (6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one; 80995-97-7; LMPR01020030 |
C10H14O |
150.22 |
CC1=CC(=O)C(CC1)C(=C)C |
|
TCMBANKIN032653 |
Guaiol |
Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 |
C15H26O |
222.37 |
CC1CCC(CC2=C1CCC2C)C(C)(C)O |
|
TCMBANKIN032706 |
picriside B_qt |
|
C54H94N22O16 |
1307.46 |
|
|
TCMBANKIN032711 |
Illudins I |
|
|
250.37 |
|
|
TCMBANKIN032712 |
(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-; InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
C10H14O2 |
166.22 |
CC1CCC2=C(C(=O)OC2C1)C |
|
TCMBANKIN032963 |
dihydrocostus lactone |
dihydrocostuslactone |
|
234.37 |
|
|
TCMBANKIN033093 |
dihydroisotanshinoneⅠ |
|
278.32 |
20.912695 |
|
|
TCMBANKIN033140 |
CHLORANTHALACTONE A |
NSC334031; Dehydroshizukanolide; chloranthalactone a; 66395-02-6 |
C15H16O2 |
228.29 |
CC1=C2CC3C(=C)C4CC4C3(C=C2OC1=O)C |
|
TCMBANKIN033283 |
DTR |
(R)-2-Amino-3-(3-indolyl)propionic acid; (R)-Tryptophan; D-alpha-Amino-3-indolepropionic acid; EINECS 205-819-9; InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s; SBB015044; 153-94-6; (2R)-2-amino-3-(1H-indol-3-yl)propionic acid; C00525; D-TRYPTOPHANE; (+)-Tryptophan; SMR000059103; D-Trytophane; (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid; NCGC00093372-02; MLS000069477; TRP NH3+ COOH; NSC 97942; T9753_SIGMA; 93670_FLUKA; CHEBI:16296; D-Tryptophan |
C11H12N2O2 |
204.23 |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN033292 |
3-(2-propenyl)-cyclooctene |
|
C11H18 |
150.26 |
C=CCC1CCCCCC=C1 |
|
TCMBANKIN033378 |
cirsilneol |
2-N-propyl-1,3-dioxolane; CHEMBL458269 |
C18H16O6 |
328.3 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)O |
|
TCMBANKIN033379 |
(E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone |
(E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone |
|
297.33 |
|
|
TCMBANKIN033381 |
Ethyl 2-methyllactate |
2-hydroxy-2-methylpropanoic acid ethyl ester; Lactic acid, 2-methyl-, ethyl ester; EINECS 201-290-3; NSC 4667; AIDS-017665; Ethyl alpha-hydroxyisobutyrate; ZINC00395638; AIDS017665; Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester; 2-hydroxy-2-methyl-propionic acid ethyl ester; 80-55-7; Ethyl .alpha.-hydroxyisobutyrate; AI3-09122; ethyl 2-hydroxy-2-methyl-propanoate; Ethyl 2-hydroxy-2-methylpropionate; alpha (or beta) - Hydroxyisobutyric acid, ethyl ester; E31200_ALDRICH; BRN 0878308; 4-03-00-00783 (Beilstein Handbook Reference); 2-Methyllactic acid ethyl ester; Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (9CI); Ethyl 2-hydroxyisobutyrate; NSC4667; Ethyl 2-hydroxy-2-methylpropanoate |
C6H12O3 |
132.16 |
CCOC(=O)C(C)(C)O |
|
TCMBANKIN033393 |
γ-pinene |
|
|
136.26 |
|
|
TCMBANKIN033394 |
DUC |
5,6-dihydrouracil; dihydrouracil; A2439/0103396; 5,6-Dihydro-2,4(1H,3H)-pyrimidinedione; 1,3-diazinane-2,4-dione; 504-07-4; C03919; CHEBI:15901; NSC 11867; C00429; Hydrouracil (8CI); ZINC00895228; 5,6-Dihydro-2,4-dihydroxypyrimidine; NSC11867; Hydrouracil; 3,4-DIHYDROURACIL; 2,4(1H,3H)-Pyrimidinedione, dihydro-; AI3-50443; DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE; DI-H-URACIL; Hydrouracil (6CI,8CI); AIDS-081842; EINECS 207-982-1; 4,5-dihydrouracil; Dihydrouracile; AIDS081842; hexahydropyrimidine-2,4-dione; FR-0140; 2,4-Dioxotetrahydropyrimidine; 2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI); D7628_SIGMA |
C4H6N2O2 |
114.1 |
C1CNC(=O)NC1=O |
|
TCMBANKIN033428 |
1-hydroxy-2, 3, 5-trimethoxyxanthone |
1-Htmx; 1-hydroxy-2,3,5-trimethoxy-9-xanthenone; 1-hydroxy-2,3,5-trimethoxyxanthen-9-one; 1-Hydroxy-2,3,5-trimethoxyxanthene; 9H-Xanthen-9-one, 1-hydroxy-2,3,5-trimethoxy-; 1-Hydroxy-2,3,5-trimethoxyxanthone; 1-hydroxy-2,3,5-trimethoxyxanthone; 22804-49-5; 1-hydroxy-2,3,5-trimethoxy-xanthen-9-one; Xanthone, 1-hydroxy-2,3,5-trimethoxy-; 1-hydroxy-2,3,5-trimethoxy-xanthone; 1-Hydroxy-2,3,5-trimethoxy xanthone |
C16H14O6 |
302.28 |
COC1=CC=CC2=C1OC3=CC(=C(C(=C3C2)O)OC)OC |
|
TCMBANKIN033430 |
7-hydroxy-8-methyl-4-vinyl-9,10-dihydrophenanthrene-1-carboxylic acid |
4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-1-carboxylic acid |
|
278.32 |
|
|
TCMBANKIN033471 |
ZINC01690417 |
(3R)-hexan-3-ol |
C6H14O |
102.17 |
|
|
TCMBANKIN033482 |
Quinicine |
quinicine |
C20H24N2O2 |
324.4 g/mol |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN033541 |
Istanbulin-A |
35481-83-5; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzoxole-2,8-dione; Naphtho(2,3-b)furan-2,8(4H,5H)-dione, 4a,6,7,8a,9,9a-hexahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aS-(4aalpha,5alpha,8abeta,9abeta))-; Istanbulin A; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-quinone; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-dione |
C15H20O4 |
264.32 |
CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)C |
|
TCMBANKIN033547 |
Medilla |
BRN 0142217; 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran; NCGC00016345-01; Cholonerton; 7-hydroxy-4-methyl-coumarin; Prestwick2_000901; Hymecromonum [INN-Latin]; CAS-90-33-5; C03081; NCI60_042099; 7-hydroxy-4-methyl-chromen-2-one; AI3-08085; CCRIS 5926; Cholestil; 4-Methylumbelliferon [Czech]; BSPBio_000742; ACon1_002401; Imecromone; NSC9408; NSC 9408; LM-94; Hymecromone [USAN:INN:JAN]; Cumarote-C; 7-Hydroxy-4-methylcoumarin; Hymecromone (JP15/USAN/INN); 7-hydroxy-4-methyl-2-chromenone; Bilicante; M1381_SIGMA; D00170; Omega 127; Bilcolic; 7-hydroxy-4-methyl-2H-chromen-2-one; ZINC00058121; CPD-182; NSC19026; BPBio1_000818; Cantabiline (TN); SPBio_002941; MEGxp0_001898; 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-; Crodimon; AIDS-018190; AIDS018190; Eurogale; 4-Methyl-7-hydroxycoumarin; NSC 19026; 4-Methylumbelliferon; SR-01000637483-1; beta-Methylumbelliferone; SMR000471886; Cantabiline; WLN: T66 BOVJ E1 IQ; 4-MU; 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-; Coumarin 4; Cantabilin; LM 94; Prestwick0_000901; MLS001074671; Himecromona [INN-Spanish]; .beta.-Methylumbelliferone; 4-methylumbelliferone; 56275-29-7; 4-Methyl-umbelliferone; 7-Hydroxy-4-methyl-2H-2-chromenone; CHEBI:17224; Pilot 447; Prestwick1_000901; Maybridge1_002078; 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-; 7-hydroxy-4-methylchromen-2-one; 5-18-01-00439 (Beilstein Handbook Reference); nchembio.2007.28-comp4; METHYLUMBELLIFERONE, BETA; Coumarin, 7-hydroxy-4-methyl-; Hymecromon; Hymecromone; 69580_FLUKA; EINECS 201-986-7; Imecromone [DCIT]; SBB009085; Prestwick3_000901; Mendiaxon; 90-33-5 |
C10H8O3 |
176.17 |
CC1=CC(=O)OC2=C1C=CC(=C2)O |
|
TCMBANKIN033639 |
4,5-dihydrocanthin-6-one |
|
C14H10N2O |
222.24 |
|
|
TCMBANKIN033678 |
caffeine |
NCGC00015208-02; DHCplus; KBio2_001781; W222402_ALDRICH; NINDS_000730; EINECS 200-362-1; Spectrum5_000423; BSPBio_001921; KBio1_000730; ACon1_000085; Probes1_000150; Quick-Pep; D00528; AIDS001649; WLN: T56 BN DN FNVNVJ B1 F1 H1; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; SK 65 Compound; NCGC00090699-07; KBio2_006917; Stim; Caffeina [Italian]; 1,3,7-trimethylpurine-2,6-dione; PDSP2_001219; C7731_SIAL; KBioSS_001781; Caffein; Miudol; Nix Nap; nchembio774-comp2; Nodaca; Caffeine (natural); Cafeina; CFF; Caffeine solution; 7-methyltheophylline; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein); Bio1_000962; TNP00310; 75035_FLUKA; 1,3,7-Trimethyl-2,6-dioxopurine; NCGC00090699-08; Caffeine, anhydrous; Koffein [German]; C1778_SIAL; Dexitac; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Durvitan; PDSP2_001000; MLS001066409; Eldiatric C; SPECTRUM1500155; cafeine; Koffein; NCIOpen2_008255; BRN 0017705; 71701-02-5; C8960_SIAL; Bio1_001451; MLS001056714; Caffeine (USP); caffenium; SPBio_001222; 27602_FLUKA; 95789-13-2; Spectrum3_000321; Cafecon; Thein; NCGC00015208-01; Coffeinum; 1-methyltheobromine; Mettler Toledo Calibration substance ME 18872, Caffeine; Kofein [Czech]; NSC 5036; Spectrum_001301; NCGC00090699-04; Bayer Select Headache Pain; Theine; Guaranine; KBio3_001141; NSC5036; 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; Spectrum2_001261; EU-0100228; Probes2_000128; MEGxp0_001350; Anhydrous caffeine (TN); 1,3,7-Trimethylxanthine; 58-08-2; Caffedrine; C07481; No-Doz; PDSP1_001016; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H; Phensal; Refresh'n; KBio2_004349; AIDS-001649; Tri-Aqua; Lopac0_000228; ZINC00001084; teina; Methyltheobromine; IDI1_000730; Caffeine, synthetic; 5-26-13-00558 (Beilstein); LS-187843; Theophylline Me; 5-26-13-00558 (Beilstein Handbook Reference); Coffein [German]; C6035_SIGMA; HSDB 36; DivK1c_000730; SDCCGMLS-0064595.P001; KBioGR_002325; NCI-C02733; SBB006474; Spectrum4_001782; Coffeine; Anhydrous caffeine; SMR000326667; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Theobromine, 1-methyl-; Theophylline, 7-methyl; MolMap_000054; NCGC00090699-01; Theobromine Me; LS-237; Cafamil; Cafipel; c1094; AI3-20154; SDCCGMLS-0064595.P002; Xanthine, 1,3,7-trimethyl; Bio1_000473; Mateina; Methylxanthine theophylline; FEMA No. 2224; CHEBI:27732; Tirend; component of P-A-C Compound; Caffeine; Organex; NCGC00090699-03; component of Cafergot; CCRIS 1314; Methyltheobromide; Lopac-C-0750; 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI); Alert-Pep; C0750_SIAL; PDSP1_001235; Anhydrous caffeine (JP15); Vivarin; Caffeine [BAN:JAN]; Coffein; Caffine |
C8H10N4O2 |
194.19 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
|
TCMBANKIN033702 |
citric acid |
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 |
C6H8O7 |
192.12 |
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|
TCMBANKIN033799 |
phosphonofluoridic acid,(l-methylethyl)-,cyclohexyl ester |
|
|
208.24 |
|
|
TCMBANKIN033810 |
1-Cyclohexene-1-propanol,a,2,6,6-tetramethyl |
|
C13H24O |
196.33 |
|
|
TCMBANKIN033834 |
Pyrocinchonic anhydride |
Maleic anhydride, dimethyl-; 766-39-2; WLN: T5VOVJ D1 E1; HSDB 5517; 3,4-dimethylfuran-2,5-quinone; D167800_ALDRICH; alpha,beta-Dimethylmaleic anhydride; .alpha.,.beta.-Dimethylmaleic anhydride; EINECS 212-165-8; Dimethylmaleic anhydride; 40750_FLUKA; NSC92512; 3,4-dimethylfuran-2,5-dione; 2,3-DIMETHYLMALEIC ANHYDRIDE; Dimethylmaleic acid anhydride; InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H; NSC 92512; 2,5-Furandione, 3,4-dimethyl- |
C6H6O3 |
126.11 |
CC1=C(C(=O)OC1=O)C |
|
TCMBANKIN033867 |
Isocalamendiol |
isocalamendiol |
C15H26O2 |
238.37 |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN033914 |
carvenone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=CC1=O)C(C)C |
|
TCMBANKIN034051 |
β-cadinol |
|
|
222.41 |
|
|
TCMBANKIN034062 |
()-p-Mentha-2,8-diene |
(3R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6R)-3-isopropenyl-6-methyl-cyclohexene; (3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene; 58923_FLUKA; 5113-87-1; (1R)-()-trans-Isolimonene; (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene; (3R,6R)-3-isopropenyl-6-methylcyclohexene; EINECS 225-843-3 |
C10H16 |
136.23 |
CC1CCC(C=C1)C(=C)C |
|
TCMBANKIN034170 |
(1S,6R)-6-isopropyl-3-methyl-1-cyclohex-3-enol |
(1S,6R)-3-methyl-6-propan-2-ylcyclohex-3-en-1-ol; (1S,6R)-3-methyl-6-propan-2-yl-cyclohex-3-en-1-ol; (1S,6R)-6-isopropyl-3-methyl-cyclohex-3-en-1-ol |
C10H18O |
154.25 |
|
|
TCMBANKIN034198 |
acetic acid |
AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 |
C5H10O3 |
118.13 |
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
|
TCMBANKIN034247 |
(4aR,8aS)-7-isopropylidene-4a-methyl-1-methylenedecalin |
(4aS,8aR)-8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene; (4aR,8aS)-7-isopropylidene-4a-methyl-1-methylene-decalin |
C15H24 |
204.35 |
|
|
TCMBANKIN034275 |
daucene |
6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene; Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-; 1-ISOPROPYL-3A,6-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-AZULENE; MGMBZNCFUFRSSP-UHFFFAOYSA-N; 16661-00-0; AC1L42YA; 3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene; Dauca-4,8-diene (Daucene); Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-; 6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene; Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-; Daucene |
C40H56 |
536.87 |
CC1=CCC2(CCC(=C2CC1)C(C)C)C |
|
TCMBANKIN034284 |
dan-shexinkum a |
|
|
296.34 |
|
|
TCMBANKIN034301 |
o-Isovalerylcolum bianetin |
AC1NSX6O; HMS3328P11; o-isovalerylcolum bianetin; MCULE-8769481672; NP-015797; 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbutanoate |
C19H22O5 |
330.4 g/mol |
CC(C)CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
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 |
|
TCMBANKIN034352 |
(1S,4aS,8aR)-1-methyldecalin-2-one |
(1S,4aS,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one; (1S,4aS,8aR)-1-methyl-2-decalinone |
C11H18O |
166.26 |
|
|
TCMBANKIN034394 |
alizarin-1-methyl ether |
alizarin-1-methylether; alizarin 1-methylether |
C15H10O5 |
270.24 g/mol |
COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O |
|
TCMBANKIN034460 |
cyclohexane,1,1,2,3-tetramethyl- |
|
C10H20 |
140.27 |
CC1CCCC(C1C)(C)C |
|
TCMBANKIN034461 |
Cyclodecene, 1-methyl- |
cis-Cyclodecene, 1-methyl-; (1Z)-1-methylcyclodecene; 1-Methyl-1-cyclodecene |
C11H20 |
152.28 g/mol |
CC1=CCCCCCCCC1 |
|
TCMBANKIN034516 |
2-Methylheptan-3-one |
2-Methyl-3-heptanone; 103128_ALDRICH; 13019-20-0; W400009_ALDRICH; EINECS 235-877-0; NSC 21978; Butyl isopropyl ketone; NSC21978; 3-Heptanone, 2-methyl-; 3-Heptanone, 2-methyl- (8CI)(9CI) |
C8H16O |
128.21 |
CCCCC(=O)C(C)C |
|
TCMBANKIN034554 |
1,7,7-Trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene |
|
C12H18 |
162.27 |
CC1(C2CCC1(C(=C2)C=C)C)C |
|
TCMBANKIN034667 |
(-)-Tabernemontanine |
|
C21H26N2O3 |
354.44 |
CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
|
TCMBANKIN034678 |
2,2,3,3-Tetramethylcyclopropanemethanol |
Cyclopropanemethanol, 2,2,3,3-tetramethyl-; (2,2,3,3-tetramethylcyclopropyl)methanol |
C8H16O |
128.21 g/mol |
CC1(C(C1(C)C)CO)C |
|
TCMBANKIN034682 |
cynanversicoside g_qt 1 |
|
|
162.21 |
|
|
TCMBANKIN034730 |
6-O-methylcatalpol_qt |
6-O-Methyl catalpol_qt |
|
214.24 |
|
|
TCMBANKIN034808 |
beta-D-arabinopyranose |
ZINC01532588; CHEBI:46996; (2R,3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol; (2R,3S,4R,5R)-oxane-2,3,4,5-tetrol |
C5H10O5 |
150.13 |
C1C(C(C(C(O1)O)O)O)O |
|
TCMBANKIN034809 |
apohyoscine |
aposcopolamine |
C17H19NO3 |
285.34 |
CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
|
TCMBANKIN034827 |
(4aS,6R,8aS)-4a-hydroxy-6-isopropenyl-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
|
234.37 |
|
|
TCMBANKIN034838 |
(E)-α-santalal |
|
|
218.37 |
|
|
TCMBANKIN034855 |
[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate |
acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ester; [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl ethanoate; acetic acid [(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)-2-oxiranyl]methyl ester |
C12H20O3 |
212.29 |
|
|
TCMBANKIN034970 |
2-methyl-5-(1-methylethylidene)-cyclo-hexanone |
|
C10H16O |
152.23 |
|
|
TCMBANKIN035035 |
epsilon-Cadinene |
AC1NST8E; (4aR)-4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene; epsilon-cadinene |
C15H24 |
204.35 g/mol |
CC(C)C1CCC(=C)C2C1CC(=C)CC2 |
|
TCMBANKIN035048 |
MNN |
(S)-(-)-mandelonitrile; (-)-mandelonitrile; InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10; (2S)-2-hydroxy-2-phenylacetonitrile; (S)-Mandelonitrile; (2S)-hydroxy(phenyl)acetonitrile; CHEBI:36941; l-mandelonitrile; (S)-Benzaldehyde cyanohydrin; (S)-MANDELIC ACID NITRILE; (2S)-2-hydroxy-2-phenyl-acetonitrile; (S)-HYDROXY(PHENYL)ACETONITRILE; C02615; (2S)-2-hydroxy-2-phenyl-ethanenitrile |
C14H17NO6 |
295.29 |
C1=CC=C(C=C1)C(C#N)O |
|
TCMBANKIN035091 |
trans,trans-1,6-dimethyl-spiro-[4,5]-decane |
|
|
166.34 |
|
|
TCMBANKIN035135 |
Arnicolide D |
|
C19H24O5 |
332.39 |
CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C |
|
TCMBANKIN035244 |
scabrans G5_qt |
scabrans G4_qt; gentiopicrin_qt; gentiopicroside_qt; scabrans G3_qt |
C16H20O9 |
356.32 |
|
|
TCMBANKIN035273 |
coriandrone A |
|
C16H20O5 |
292.33 |
CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC |
|
TCMBANKIN035301 |
2,3-dimethyl-1-pentene |
|
C7H14 |
98.19 |
CCC(C)C(=C)C |
|
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 |
|
TCMBANKIN035361 |
1-Vinylcyclohexanol |
1-Vinylcyclohexan-1-ol; BRN 1305659; NCIOpen2_003732; NSC 62184; EINECS 217-718-7; 1-Vinyl cyclohexanol; 1-Vinylcyclohexyl alcohol; 1-Ethenyl-cyclohexanol(9CI); Cyclohexanol, 1-vinyl-; 1-ethenylcyclohexan-1-ol; AI3-25140; 1-Vinyl-cyclohexanol-(1) [German]; ghl.PD_Mitscher_leg0.953; 4-06-00-00222 (Beilstein Handbook Reference); 1940-19-8; 556084_ALDRICH; 1-vinyl-1-cyclohexanol; Cyclohexanol, 1-ethenyl-; NSC62184 |
C8H14O |
126.2 |
C=CC1(CCCCC1)O |
|
TCMBANKIN035365 |
cis-p-2,8-Menthadien-1-ol |
1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN035368 |
(1S,5R)-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
ZINC00968031; InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H; (1S,5R)-7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde; ST5308423 |
C10H16O |
152.23 |
|
|
TCMBANKIN035379 |
ZINC00035529 |
(2S)-2-[(2R)-4-methoxy-2,3-dihydrofuro[5,4-b]quinolin-2-yl]propane-1,2-diol; NCGC00015366-01; Lopac-D-7814 |
C15H17NO4 |
275.3 |
CC(CO)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O |
|
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 |
|
TCMBANKIN035502 |
d-Piperitone |
InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H; 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-; 89-81-6; alpha-Piperitone; (6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; (6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; (6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; FEMA No. 2910; Piperitone, alpha-; LMPR01020066; (S)-piperitone; 2-Cyclohexen-1-one, 3-methyl-6-(1-methyethyl)-, (S)-; d-Piperitone (natural); C09885; (+)-Piperitone; 4-Isopropyl-1-methyl-1-cyclohexen-3-one; 6091-50-5; (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one; CHEBI:41; 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-one, (S)-; (S)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one; 6-isopropyl-3-methylcyclohex-2-en-1-one; PIPERITONE, D-; (6S)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN035509 |
trans-Pinocarveyl acetate |
EINECS 254-628-7; 39776-85-7; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3R,5R)-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3beta,5alpha))-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] ester; [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-3-norpinanyl] ester |
C12H18O2 |
194.27 |
CC(=O)OC1CC2CC(C1=C)C2(C)C |
|
TCMBANKIN035537 |
mansumbin-13(17)-en- 3,16-dione |
|
|
328.54 |
|
|
TCMBANKIN035636 |
(3R)-2,2-dimethyl-3-propyloxirane |
(3R)-2,2-dimethyl-3-propyl-oxirane |
C7H14O |
114.19 |
|
|
TCMBANKIN035646 |
(1S,3aR,4R,8aS)-7-isopropyl-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol |
(1S,3aR,4R,8aS)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol |
C15H26O2 |
238.37 |
|
|
TCMBANKIN035744 |
methylbutyl-1,2-benzenedicarboxylate |
|
|
236.29 |
|
|
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 |
|
|
TCMBANKIN035814 |
(7E)-9-hydroxymegastigma-4, 7-dien-3-on-9-O-beta-D-glucopyranoside_qt |
|
|
208.33 |
|
|
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 |
|
TCMBANKIN035848 |
(1R)-(-)-thuj-3-ene |
|
C10H16 |
136.23 |
|
|
TCMBANKIN035873 |
Boschniakine |
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde; (R)-6,7-dihydro-7-methyl-5H-2-pyrindine-4-carboxaldehyde; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carbaldehyde; CHEBI:3157; (7R)-7-methyl-6,7-dihydro-5H-cyclopenta[d]pyridine-4-carboxaldehyde; C09915; (R)-6,7-dihydro-7-methyl-5H-2-pyrindinecarboxaldehyde; boschniakine; (7R)-7-methyl-2-pyrindan-4-carbaldehyde; 18070-40-1 |
C10H11NO |
161.2 |
CC1CCC2=C1C=NC=C2C=O |
|
TCMBANKIN035926 |
epilupeol acetate |
|
C32H52O2 |
468.75 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
|
TCMBANKIN035954 |
(1R,4S)-7,7-dimethyl-2-methylenenorbornane |
(1S,4R)-7,7-dimethyl-3-methylidenebicyclo[2.2.1]heptane; (1R,4S)-7,7-dimethyl-2-methylene-norbornane; (1S,4R)-7,7-dimethyl-3-methylidene-bicyclo[2.2.1]heptane |
C10H16 |
136.23 |
|
|
TCMBANKIN036037 |
(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
Lopac-I-3766; NCGC00015556-01 |
C15H12O4 |
256.25 |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
|
TCMBANKIN036090 |
(3R,3aR,6R,7S,8aS)-3,6,8,8-tetramethylhexahydro-1H-3a,7-methanoazulen-5(4H)-one |
|
|
220.39 |
|
|
TCMBANKIN036097 |
Homoarecoline |
5497-43-8; BRN 0125290; 28125-84-0; 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid ethyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER; Arecaidine-ethyl ester; Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate; homoarecoline; ethyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate |
C9H15NO2 |
169.22 |
CCOC(=O)C1=CCCN(C1)C |
|
TCMBANKIN036174 |
1,3,8-p-Menthatriene |
1,3,8- p- menthatriene; 1-methyl-4-prop-1-en-2-yl-cyclohexa-1,3-diene; 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethenyl)-; 1,3,8-p-menthatriene; 1-isopropenyl-4-methylcyclohexa-1,3-diene; 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene; 1-isopropenyl-4-methyl-cyclohexa-1,3-diene; 18368-95-1 |
C10H14 |
134.22 |
CC1=CC=C(CC1)C(=C)C |
|
TCMBANKIN036177 |
(4aR,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
(4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
C15H22O |
218.33 |
|
|
TCMBANKIN036190 |
(1R)-1-phenylpropan-1-ol |
(R)-()-alpha-Ethylbenzyl alcohol; ZINC01481898; InChI=1/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H; 256331_ALDRICH; (R)-()-1-Phenyl-1-propanol |
C20H44O4P2S4 |
538.77 |
CCC(C1=CC=CC=C1)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 |
|
|
TCMBANKIN036343 |
trans-1,2-Diacetylethylene |
NSC 11746; (E)-hex-3-ene-2,5-dione; hex-3-ene-2,5-dione; NSC 38025; 820-69-9; 3-HEXENE-2,5-DIONE (TRANS); 3-Hexene-2,5-dione, (E)- |
C6H8O2 |
112.13 |
CC(=O)C=CC(=O)C |
|
TCMBANKIN036352 |
salviolone |
|
C18H20O2 |
268.35 |
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
|
TCMBANKIN036371 |
Sweroside aglycone |
(4aS,5R,6R)-6-hydroxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 6-alpha-Hydroxy-5-alpha-vinyl-4,4a-beta,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one; 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-, (4aalpha,5beta,6alpha)-; 15215-11-9; 1H,3H-Pyrano(3,4-c)pyran-1-one, 4,4a-beta,5,6-tetrahydro-6-alpha-hydroxy-5-alpha-vinyl-; 5-Ethenyl-4,4a,5,6-tetrahydro-6-hydroxy-1H,3H-pyrano(3,4-c)pyran-1-one (4aalpha,5beta,6alpha)-; (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one |
C10H12O4 |
196.2 |
C=CC1C2CCOC(=O)C2=COC1O |
|
TCMBANKIN036384 |
[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate |
[(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; 20777-36-0; 50539-17-8; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-; acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester; [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate; acetic acid [(1R,2R,5R)-2-isopropyl-5-methylcyclohexyl] ester |
C12H22O2 |
198.3 |
CC1CCC(C(C1)OC(=O)C)C(C)C |
|
TCMBANKIN036487 |
commiferin |
7-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one; AC1NSTS4 |
C15H20O3 |
248.32 |
CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O |
|
TCMBANKIN036493 |
(2R,6R)-2,6-dimethylcyclohexan-1-ol |
(2R,6R)-2,6-dimethyl-1-cyclohexanol; ZINC01587613 |
C8H16O |
128.21 |
|
|
TCMBANKIN036662 |
IPA |
Isopropyl alcohol (manufacturing-strong acid process only); sec-Propyl alcohol; 34965_RIEDEL; i-Propanol [German]; 278475_ALDRICH; 443425_SIAL; CHEBI:17824; Caswell No. 507; Alcool isopropilico; 563935_ALDRICH; Alcosolve 2; EPA Pesticide Chemical Code 047601; Alcool isopropylique; Takineocol; 442369_SUPELCO; c0519; NCGC00090917-01; Isopropyl alcohol [USAN]; Ethyl, 1-hydroxy-1-methyl-; Isopropanol; 92438_FLUKA; EINECS 200-661-7; Combi-schutz; N-Term LC Solvent System B; Avantine; ZINC00901159; 67-63-0; 673773_ALDRICH; sec-propanol; i-Propylalkohol [German]; AIDS-186244; 40279_RIEDEL; Secondary alcohol; 2-Hydroxypropane; BRN 0635639; LS-1565; Alcojel; D00137; Lutosol; 2-Propyl alcohol; 4-01-00-01461 (Beilstein Handbook Reference); Isopropanol (JP15); I9782_SIGMA; 1-Methylethanol; 154970_SIAL; Alcool isopropilico [Italian]; Isopropryl alcohol; 1-Methylethyl alcohol; 8013-70-5; NSC135801; HSDB 116; Isopropyl alcohol (USP); 439207_ALDRICH; 40343_RIEDEL; 34895_RIEDEL; UN1219; CCRIS 2308; WLN: QY1&1; 59309_FLUKA; Spectrar; Alkolave; FEMA No. 2929; I9516_SIGMA; Alcool isopropylique [French]; 2-Propanol : Water 31:69 with 0.1% buffer; i-Propyl alcohol; secondary alcohols; Alcolo; Alcohol, rubbing; Iso-propylalkohol; Isopropenol; Imsol A; 40314_RIEDEL; Iso-propylalkohol [German]; C01845; i-propanol; Arquad DMCB; 1-Hydroxy-1-methylethyl; Lavacol; Sterisol hand disinfectant; NSC 135801; 2-Propanol solution; Isopropyl alcohol; AI3-01636; Visco 1152; 34959_RIEDEL; 40301_RIEDEL; 91237_FLUKA; FEMA Number 2929; Isopropylalkohol; 2-PROPANOL, ISOPROPANOL; IOH; 534021_ALDRICH; Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required); 24137_RIEDEL; i-Propylalkohol; 190764_SIAL; Isopropyl alcohol, rubbing; CHEBI:35681; Rubbing alcohol; Isopropyl alcohol (manufacture strong-acid process); 59304_FLUKA; 34863_SIAL; Isohol; Isopro; I9030_SIGMA; 33539_RIEDEL; ST5214369; 650447_ALDRICH; Hartosol; Avantin; AIDS186244; Isopro (TN); Petrohol; 5131-95-3; 2-Propanol; W292907_ALDRICH; R-CHOH-R'; n-Propan-2-ol; Iso-propyl alcohol; Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]; Dimethylcarbinol; Propan-2-ol; InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H; Alcosolve; Propol; 675431_ALDRICH; 437522_SIAL; 40219_RIEDEL; 109827_ALDRICH |
C3H8O |
60.1 |
CC(C)O |
|
TCMBANKIN036752 |
ketologanin_qt |
|
C17H24O10 |
388.37 |
|
|
TCMBANKIN036784 |
Balchanin |
4290-13-5; 6895-45-0; Eudesma-3,11(13)-dien-12-oic acid, 1beta,6alpha-dihydroxy-, gamma-lactone; Santamarin; 11016-81-2; AIDS104092; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9aS,9bS)-; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-2-one; Santamarine; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-; AIDS-104092; C09544; Naphthol]1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[3,4-d]furan-2-one |
C15H20O3 |
248.32 |
CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O |
|
TCMBANKIN036817 |
atractylenolide I |
(4aS,8aS)-3,8a-dimethyl-5-methylene-4a,6,7,8-tetrahydro-4H-benzo[f]benzofuran-2-one; Atractylenolide I; (+)-Atractylenolide; (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzoxol-2-one |
C15H18O2 |
230.302 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])=C2C(=C(C([H])([H])[H])C(=O)O2)C3([H])[H])[C@]3([H])C(=C([H])[H])C1([H])[H] |
|
TCMBANKIN036876 |
genipin |
(1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09780; methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; SCHEMBL13526030; (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 6902-77-8; Genipin; SMR001397100; HMS2213D09; CHEMBL1317787; MLS002472994 |
C12H16O4 |
224.253 |
[C@]12([H])[C@]([H])(C(C([H])([H])O[H])=C([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])=C2C(OC([H])([H])[H])=O |
|
TCMBANKIN036888 |
Pinocembrin |
Spectrum5_000349; KBio3_002549; AIDS014893; (R)-5,7-Dihydroxy-2-phenylchroman-4-one; NCGC00017205-02; SDCCGMLS-0066749.P001; ZB000598; SpecPlus_000896; (-)-pinocembrin; pinocembrine; (2S)-5,7-dihydroxy-2-phenyl-4-chromanone; Spectrum_001879; AKOS030254805; KBio2_004969; URFCJEUYXNAHFI-CYBMUJFWSA-N; NCGC00017205-01; Spectrum3_001635; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-(-)-; ST023293; 5,7-Dihydroxyflavanone; BSPBio_003329; ZINC00073693; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-; (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one; AK582703; 206660-42-6; KBio2_007537; NCGC00142377-01; (2S)-5,7-dihydroxy-2-phenylchroman-4-one; TNP00071; Pinocembrin (6CI); NSC 279005; (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one; SCHEMBL10080882; Oprea1_508274; (R)-PINOCEMBRIN; DivK1c_006992; (2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; A836234; SPBio_001859; Spectrum2_001670; AIDS-014893; KBioSS_002406; KBio2_002401; CTK0J0172; AC1LDIB9; (2R)-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one; N2094; NSC 661207; (2R)-5,7-dihydroxy-2-phenylchroman-4-one; ZINC4935; BDBM26666; 480-39-7; KBioGR_002249; DTXSID30349853; CHEMBL399249; pinocembrin; ST024705; C09827; KBio1_001936; (R)-5,7-dihydroxyflavanone; (2S)-5,7-dihydroxy-2-phenyl-chroman-4-one; (2R)-5,7-DIHYDROXY-2-PHENYL-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; NSC 43318; Spectrum4_001765 |
C16H14O4 |
270.28 |
c1([H])c([H])c([H])c([C@@]2([H])Oc(c([H])c(C([H])([H])O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
|
TCMBANKIN036902 |
magnolol |
UPCMLD-DP037:001; UNII-001E35HGVF; 001E35HGVF; TR-031540; FT-0628104; SR-01000758206-3; AN-15430; 2'-Bichavicol; NSC 293099; MLS001048917; STK801955; KS-000009BG; ZINC00001645; [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl-; 5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol; HMS3651O18; ZINC1645; PubChem19035; DS-1284; CTK1G9448; ST24029219; NCGC00161609-01; 2-(2-hydroxy-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol; HY-N0163; BN0720; 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol; MFCD00016658; SMP2_000086; SCHEMBL132477; 5,5'-Diallyl-2,2'-dihydroxybiphenyl; (1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl-; 3r5n; BC205200; Magnolol, European Pharmacopoeia (EP) Reference Standard; NSC293099; Magnolol, >=95% (HPLC), from plant; ACN-035415; SMR000387108; CM0085; Magnolol; NCGC00161609-02; magnolol ; MCULE-1351244567; AB0016717; VVOAZFWZEDHOOU-UHFFFAOYSA-N; 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol; 2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol; 2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; 528-43-8; 4-allyl-2-(5-allyl-2-hydroxyphenyl)phenol; HMS2269N09; Dehydrodichavicol; AC1Q7B1V; 4CN-0760; D3971; 5,5′-Diallyl-2,2′-biphenyldiol; BBL027818; s2321; 5,5'-Diallylbiphenyl-2,2'-diol; NSC-293099; KB-279770; CHEMBL180920; CCG-208588; AJ-08064; S-2836; 5,5'-Diallyl-2,2'-biphenyldiol; 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol; SR-01000758206; HSDB 7686; DTXSID0044076; AIDS-002239; BR-72952; CHEBI:6643; SC-25620; J10186; 5,5;-Diallyl-[1,1;-biphenyl]-2,2;-diol; M3445_SIGMA; UPCMLD-DP037; 528M438; BDBM78304; I01-2281; O906; Q-100598; AX8016874; LS-44356; AIDS002239; 2,2'-Bichavicol; BG00615874; Kopnolia; AC-931; N1359; SR-01000758206-4; AK-72952; MolPort-002-507-434; BB_NC-1463; Bio-0675; BRD-K26168087-001-01-4; RTR-031540; AKOS005266409; ZB000381; REGID_for_CID_72300; cid_72300; C-16714; C10651; AC1L2HT7; SY016075; CC-30123; CJ-00060; CS-5021 |
C18H18O2 |
266.334 |
C([H])([H])=C([H])C([H])([H])c1c([H])c([H])c(O[H])c(c2c([H])c(C([H])([H])C([H])=C([H])[H])c([H])c([H])c2O[H])c1[H] |
|
TCMBANKIN037001 |
alpha-Guaiene |
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene |
C15H24 |
204.35 g/mol |
CC1CCC(CC2=C1CCC2C)C(=C)C |
|
TCMBANKIN037002 |
Danshenspiroketallactone |
dan shen-spiroketallactone; danshen spiroketallactone |
|
268.31 g/mol |
|
|
TCMBANKIN037030 |
neostemonine |
|
C18H25NO4 |
319.4 |
CC1C2C3CCCN3CCCC2OC1=C4C(=C(C(=O)O4)C)OC |
|
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 |
|
|
TCMBANKIN037169 |
Oxyphyllol A |
7-Isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-ol; 1-naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1R,4aR,7R)-; (1R,4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; oxyphyllol a; (1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; InChI=1/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3/t12-,14-,15-/m1/s; rel-(1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol |
C30H39Cl2N5O4S2 |
668.7 |
CC(=C)C1CCC2(CCCC(C2=C1)(C)O)C |
|
TCMBANKIN037308 |
β-Eudesmol |
2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol |
|
222.37 |
|
|
TCMBANKIN037483 |
przewalskin d |
|
C20H26O2 |
298.4 g/mol |
CC(C)C1=C(C(=C2C=C3C=CCC(C3CCC2=C1)(C)C)O)O |
|
TCMBANKIN037504 |
β-Bisabolene |
(1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- |
|
204.35 g/mol |
|
|
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 |
|
TCMBANKIN037525 |
Angeloylgomisin H |
angeloylgomisin h; angeloyl gomisin h |
C28H36O8 |
501 |
C([H])([H])([H])\C([H])=C(\C(=O)Oc1c2c(C([H])([H])[C@@](C([H])([H])[H])([H])[C@@](C([H])([H])[H])(O[H])C([H])([H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c3OC([H])([H])[H])c23)c([H])c(OC([H])([H])
[H])c1OC([H])([H])[H])/C([H])([H])[H] |
|
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] |
|
TCMBANKIN037555 |
Filicinic acid |
filicinicacid |
C8H10O3 |
154.163 |
C1(O[H])=C([H])C(=O)C([H])=C(O[H])C1(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN037560 |
iso-preleoheterin |
|
C20H30O4 |
334.4 g/mol |
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O |
|
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 |
|
TCMBANKIN037619 |
Cyperolone |
SCHEMBL19419895; AC1NSU4M; 1-[(3S,3aR,5R,7aS)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; CHEBI:80814; cyperolone; DTXSID90415700; 1-[(3S,3aR,5R,7aS)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; C16946; 13741-46-3 |
|
236.35 |
|
|
TCMBANKIN037671 |
bicyclogermacrene |
Bicyclogermacrene; CHEMBL509566; CHEBI:63709; bicyclogermacrene |
C15H24 |
204.351 |
C1(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C2([H])[H])[C@@]12[H] |
|
TCMBANKIN037770 |
torachrysone |
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one; 1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone; 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone; C17672; Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-; Nakahalene; AKOS032948833; CHEBI:81265; 1-(1,8-dihydroxy-6-methoxy-3-methyl-naphthalen-2-yl)ethanone; CHEMBL2204398; BG01228450; ZINC13307187; Torachrysone; 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene; 1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene; SCHEMBL932035; MolPort-028-599-891; 22649-04-3; N-Nitroso-N-phenyl-Urea; AC1NT11I; CTK8H6905; W2033; 1-Nitroso-1-phenyl-Urea |
C14H14O4 |
246.259 |
c1(C([H])([H])[H])c([H])c(c([H])c(OC([H])([H])[H])c([H])c2O[H])c2c(O[H])c1C(=O)C([H])([H])[H] |
|
TCMBANKIN037817 |
γ-selinene |
gamma-selinene; γ- Selinene; Eudesma-4(14),7(11)-diene - Substance |
C15H24 |
204.35 |
CC(=C1CCC2(CCCC(=C)C2C1)C)C |
|
TCMBANKIN038080 |
Gentianal |
|
|
193.2 |
|
|
TCMBANKIN038143 |
stachyose |
O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside; 10094-58-3; C01613; Stachyose; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; 470-55-3; alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]tet; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetra; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,; CHEBI:17164 |
C24H42O21 |
667 |
O([H])[C@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H]
)O[H])O[C@]3([H])O[C@]4([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)C([H])([H])O[H])O2)O[C@]1([H])C([H])([H])O[H] |
|
TCMBANKIN038145 |
Ermanthin |
Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.)]-; ermanthin; Eremanthin derivative; NSC321215; Eremanthin; NSC 321215; Eremanthine; Azuleno(4,5-b)furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))- (9CI); Vanillosmin; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one; 37936-58-6; NCI60_002782; C09406; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one |
C15H18O2 |
230.3 |
CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN038159 |
Ivalin |
C09488; NSC 85237; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydronaphtho[3,2-d]furan-2-one; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one; 5938-03-4; ivalin ; ivalin; Eudesma-4(14),11(13)-dien-12-oic acid, 2,8-dihydroxy-, gamma-lactone |
|
248.32 g/mol |
|
|
TCMBANKIN038399 |
α-Santalene |
ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE |
|
204.35 |
|
|
TCMBANKIN038593 |
8-methoxy-9-hydroxythymol |
|
C11H16O3 |
196.27 |
|
|
TCMBANKIN038817 |
Frutinone A |
FT-0668883; frutinone a; I14-21786; 6H,7H-chromeno[4,3-b]chromene-6,7-dione; ACM38210274; 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-6,7-dione; CHEBI:5179; SCHEMBL11869493; 38210-27-4; AC1L9C0Q; AKOS015906673; chromeno[3,2-c]chromene-6,7-quinone; chromeno[4,3-b]chromene-6,7-dione; ZINC00897930; chromeno[3,2-c]chromene-6,7-dione; ZINC897930; C09008; DTXSID90331693 |
C16H8O4 |
264.232 |
c1([H])c([H])c(C(=O)C(C(=O)Oc(c([H])c([H])c([H])c2[H])c23)=C3O4)c4c([H])c1[H] |
|
TCMBANKIN038827 |
trans-limonene oxide |
|
C10H16O |
152.233 |
[C@]12([H])[C@@](C([H])([H])[H])(O1)C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])=C([H])[H])C2([H])[H] |
|
TCMBANKIN038985 |
10(E)-beta-Santalic acid |
(E)-2-methyl-5-[(1S,4R,6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-enoic acid; InChI=1/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5+/t12-,13?,15?/m1/s; (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-enoic acid; (E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-enoic acid |
C15H22O2 |
234.334 |
C1([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[C@]1([H])C(=C([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(\C(O[H])=O)/C([H])([H])[H] |
|
TCMBANKIN039128 |
Isofucosterol |
C08812; (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; C08821; AIDS113090; 481-14-1; isofucosterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; AIDS-113090; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 18472-36-1; delta5-Avenasterol |
C29H48O |
412.69 |
CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN039311 |
Sarisan |
NSC44848; Benzene, 1-allyl-2-methoxy-4,5-methylenedioxy; C10493; 5-methoxy-6-prop-2-enyl-1,3-benzodioxole; sarisan; NSC 27868; NSC27868; 1,3-Benzodioxole, 5-methoxy-6-(2-propenyl)-; AI3-31217; 5-allyl-6-methoxy-1,3-benzodioxole; 18607-93-7; 1-Allyl-2-methoxy-4,5-(methylenedioxy)benzene |
C11H12O3 |
192.211 |
c1([H])c(C([H])([H])C([H])=C([H])[H])c(OC([H])([H])[H])c([H])c(OC([H])([H])O2)c12 |
|
TCMBANKIN039345 |
LOLIOLIDE |
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 1,3-Dihydroxy-3,5,5-trimethylcyclohexylidene-4-acetic acid lactone; (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one; loliolide; 11028-27-6; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S-cis)-; NSC 289632 |
C11H16O3 |
196.24 |
CC1(CC(CC2(C1=CC(=O)O2)C)O)C |
|
TCMBANKIN039387 |
Furanodiene |
(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 4CN-2047; ZINC33831282; 57566-47-9; 19912-61-9; cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E)-; (5E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; AC1NSVKM; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; LS-55942; furanodiene; 3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan; Cyclodeca(b)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9Z)-; InChI=1/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6; Germacra-1(10),4,7,11-tetraene, 8,12-epoxy-, (Z,E)- |
C15H20O |
216.32 |
CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
|
TCMBANKIN039594 |
rubilactone |
Rubilactone; 3'-Carbomethoxy-4'-hydroxynaphtho(1',2'-2,3)pyran-6-one; methyl 6-hydroxy-2-oxo-benzo[h]chromene-5-carboxylate; 6-hydroxy-2-oxo-5-benzo[h]chromenecarboxylic acid methyl ester; 6-hydroxy-2-keto-benzo[h]chromene-5-carboxylic acid methyl ester; DTXSID80161966; CHEMBL502634; 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2-oxo-, methyl ester; 142182-54-5; methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate; SCHEMBL16453602; AC1L30XS |
C15H10O5 |
270.237 |
c1([H])c([H])c(c(O[H])c(C(OC([H])([H])[H])=O)c(C([H])=C([H])C(=O)O2)c23)c3c([H])c1[H] |
|
TCMBANKIN039609 |
Epidanshenspiroketallactone |
|
|
340.4 g/mol |
|
|
TCMBANKIN039699 |
GA77 |
|
C19H24O6 |
348.4 g/mol |
CC12CCCC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O |
|
TCMBANKIN039755 |
Glechomanolide |
|
|
232.318 |
|
|
TCMBANKIN039868 |
isocurcumenol |
isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol |
C15H22O2 |
234.334 |
[C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
|
TCMBANKIN039885 |
Senkyunolide E |
senkyunolide-E; senkyunolide e; senkyunolide E |
|
204.22 g/mol |
|
|
TCMBANKIN039959 |
4,7-Dihydroxy-3-butylphthalide |
3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide |
|
222.26 |
|
|
TCMBANKIN040127 |
przewalskin c |
|
C21H30O3 |
330.5 g/mol |
CC(C)C1=C(C(=C2CC3=CCCC(C3CC(C2=C1)OC)(C)C)O)O |
|
TCMBANKIN040265 |
stemoninoamide |
tuberostemoamide |
C17H23NO4 |
305.369 |
[C@@]12([H])[C@]([H])(O[C@@]3(OC(=O)C(C([H])([H])[H])=C3[H])[C@@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N4[C@@]2([H])C([H])([H])C([H])([H])C4=O |
|
TCMBANKIN040452 |
Oxyphyllenone B |
oxyphyllenone b |
|
210.27 |
|
|
TCMBANKIN040606 |
GA63 |
|
C19H24O6 |
348.39 |
C1([H])([H])C([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@]([H])(C(=C([H])[H])[C@@]4([H])O[H])C([H])([H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN040687 |
cis-dihydrocarvone |
(2S,5R)-5-isopropenyl-2-methyl-1-cyclohexanone; (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one; ZINC00967813; (2S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; LMPR01020084; (1S,4R)-Iso-dihydrocarvone; (2S,5R)-5-isopropenyl-2-methyl-cyclohexan-1-one; C11401; (Z)-dihydrocarvone |
C10H16O |
152.233 |
C1([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C1=O |
|
TCMBANKIN040702 |
Globulol |
viridiflorol |
C15H26O |
222.366 |
[C@@]1(C([H])([H])[H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C2(C([H])([H])[H])C([H])([H])[H])[C@]2([H])[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]13[H] |
|
TCMBANKIN040828 |
3-O-tiglate derivative |
|
|
278.38 |
|
|
TCMBANKIN040909 |
GA69 |
|
C19H24O5 |
332.391 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN041320 |
cyperene |
Cyperene; 2387-78-2; (-)-cyperene; LMPR0103450002; α-cyperene; 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aalpha,4beta,7alpha))- |
C15H24 |
204.351 |
C1([H])([H])C([H])([H])C(C([H])([H])[H])=C2[C@@]13C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C2([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H] |
|
TCMBANKIN041379 |
1-ketoisocryptotanshinone |
1-keto-isocryptotanshinone |
C19H18O4 |
310.37 |
CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4=O)(C)C |
|
TCMBANKIN041639 |
flavone |
GTPL409; HMS3604K19; 2-phenyl-4H-benzopyran-4-one; Flavone (VAN); 5-17-10-00552 (Beilstein Handbook Reference); 2-Phenylchrome; MEGxp0_001685; MLS002473400; NCGC00090962-04; SMR000112315; MLS002177804; MCULE-3856134714; 4H-1-Benzopyran-4-one, 2-phenyl-; BDBM50028962; FT-0603450; ZX-AFC000856; Flavone (VAN) (8CI); Phenylchromone; C10043; AIDS-051918; IDI1_016673; DSSTox_CID_2048; D08RVN; 2-Phenyl-chromen-4-one; VHBFFQKBGNRLFZ-UHFFFAOYSA-N; 46370_FLUKA; InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10; KS-000016AQ; Maybridge3_005286; ACM525826; AC1L1VPW; SBB072435; Asmacoril; CU-00000000060-1; 2-Phenylbenzopyran-4-one; I14-21772; S2V45N7G3B; BRD-K86741145-001-01-5; CBiol_000263; T667; HMS2269O06; KB-232056; ACon1_000055; MFCD00006825; F0015; Flavon; UNII-S2V45N7G3B; BIF1002; HMS1446A06; DB-052142; 2-PHENYLCHRONONE; 2-PHENYL- GAMMA-BENZOPYRONE; KB-174113; ZB002210; ZINC57674; A-8354; 2-Phenyl-4H-chromen-4-one #; 2-Phenylbenzo[b]pyran-4-one; ANW-75635; NCGC00090962-03; 46380_FLUKA; AIDS051918; CTK1G8239; NSC 19028; ZX-AT010673; LMPK12110097; STK164205; DB07776; CC-11825; L001213; TR-018648; ZINC00057674; LS-39844; CCRIS 4288; 4hki; CHEMBL275638; NCGC00090962-05; C15608; 2-phenyl-1-benzopyran-4-one; 2-Phenyl-4-benzopyron; 54849-74-0; F-2700; DSSTox_GSID_22048; CAS-525-82-6; Cromarile; 2-phenyl-4H-chromen-4-one; NSC-19028; BRN 0157598; SC-65147; NCGC00090962-06; bmse000945; AK324531; Cromaril; SCHEMBL18879; C-12398; F2003_SIAL; Flavone, Flavone; 2-Phenyl-4H-benzopyran-4-one; 2-Phenyl-4H-1-benzopyran-4-one; ICCB2_000263; 2-Phenyl-gamma-benzopyrone; 2-phenylchromen-4-one; 6CC153EB-39A6-42FC-BE96-C8BF1D585E27; NSC19028; DSSTox_RID_76467; Tox21_400059; OR1156; 2-Phenyl-4-chromone; DTXSID2022048; EINECS 208-383-8; 2-Phenyl-4H-chromen-4-one; Tox21_202987; ST45028199; FLAVONE; D0S0RK; A829155; FLN; 525-82-6; NCGC00090962-02; Chaste tree berry Extract; 11091-19-3; 2-phenyl-4-chromenone; 2-Phenyl-4H-chromen-4-on; CCG-214679; VA10914; 525F826; 2-Phenyl-.gamma.-benzopyrone; 2-Phenylchromone; Flavone; Chromocor; 4h-1-benzopyran-4-one,2-phenyl-; KB-191942; CHEBI:42491; ACMC-20aj2d; AKOS000603572; BG01525318; NCGC00168837-01; PubChem9849; Vitex agnus-castus; MLS002638647; BIDD:ER0515; ST5308279; MolPort-001-016-955; NCGC00090962-01; 66585-04-4; NCGC00260532-01 |
C15H10O2 |
222.24 |
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
|
TCMBANKIN041701 |
Aractylenolide II |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN041781 |
lotusine |
AC1NRX67; Lotusine; CHEBI:81190; (-)-Lotusine; 6871-67-6; ZINC14439259; Isoquinolinium, 1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-, (1R)-; C17567; (1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol; D-(-)-Lotusine |
C19H24NO3 |
315 |
c1(O[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C([H])([H])c3c([H])c([H])c(O[H])c([H])c3[H])c2c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041862 |
trans-carane-cis 4-ol |
|
C10H18O |
154.25 |
|
|
TCMBANKIN041935 |
linderalactone |
ST24035668; LWCKQMHMTSRRAA-QGQQYVBWSA-N; C17425; AKOS015897170; I07-0309; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)-(+)-; Linderalactone; MCULE-1529191421; 6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, [R-(E)]-; MolPort-005-945-802; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4R,10E)-; 857366-20-2; 728L610; 728-61-0; AK103578; isolinderalactone; (R,E)-3,11-Dimethyl-8,9-dihydro-4H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6(12H)-one; 32663-41-5; ZINC13532008; NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (R-(E))-; CHEMBL1080239; (1R,8E)-3,8-DIMETHYL-5,14-DIOXATRICYCLO[10.2.1.0(2),?]PENTADECA-2(6),3,8,12(15)-TETRAEN-13-ONE; NP-013325; AJ-64075; CHEBI:69074; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6alpha-hydroxy-, gamma-lactone, (E)-(+)-; 1312AC |
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN042017 |
suspenolic acid |
suspenolicacid |
C10H14O4 |
198.22 g/mol |
CC(=O)OC1CCC(=CC(=O)O)CC1 |
|
TCMBANKIN042100 |
auraptenol |
|
C15H16O4 |
260.285 |
O1c(c(C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])O[H])c(OC([H])([H])[H])c([H])c2[H])c2C([H])=C([H])C1=O |
|
TCMBANKIN042372 |
Preskimmianine |
|
|
303.35 |
|
|
TCMBANKIN042684 |
GA120 |
|
C19H21O4- |
313.4 g/mol |
CC12CC=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)[O-])OC2=O |
|
TCMBANKIN042726 |
Isokobusone |
(1S,5R,9R)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one; AC1OF35U |
|
222.32 g/mol |
|
|
TCMBANKIN042874 |
baimuxinal |
CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal |
C15H24O2 |
236.35 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
|
TCMBANKIN043002 |
9-O-angeloyl derivative |
|
|
278.38 |
|
|
TCMBANKIN043024 |
ivangustin |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(CC2(C(CC1)O)C)OC(=O)C3=C |
|
TCMBANKIN043038 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN043109 |
calodendrolide |
|
C15H16O4 |
260.285 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([C@]([H])(O3)C(=O)O[C@@]2([H])c4c([H])c([H])oc4[H])C(C([H])([H])[H])=C1[H] |
|
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] |
|
TCMBANKIN043244 |
2,3-didehydro GA70 |
|
C19H22O5 |
330.375 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[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 |
|
TCMBANKIN043469 |
γ-Elemene |
O-Menth-8-ene, 4-isopropylidene-1-vinyl-; 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-cyclohexane; γ- elemene; γ--elemene; γ-Elernene |
|
204.35 |
|
|
TCMBANKIN043585 |
Velleral |
velleral |
|
232.32 |
|
|
TCMBANKIN043783 |
curzerene |
Curzerene; BG01211968; 4,5,6,7-Tetrahydro-5-isopropenyl-3,6beta-dimethyl-6alpha-vinylbenzofuran; AC1NSU11; Y0061; (6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran; 17910-09-7 |
C15H20O |
216.319 |
C([H])([H])=C([H])[C@@]1(C([H])([H])[H])C([H])([H])c(oc([H])c2C([H])([H])[H])c2C([H])([H])[C@]1([H])C(C([H])([H])[H])=C([H])[H] |
|
TCMBANKIN043806 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN043953 |
GA97 |
|
C20H28O6 |
364 |
[C@@]1([H])(O[H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]4([H])C(O[H])=O)[C@@]4([H])[C@@](C(O[H])=O)(C([H])([H])[H])C
1([H])[H] |
|
TCMBANKIN044201 |
rotundene |
|
C15H24 |
204.35 |
CC1CCC2C1CC3CCC2(C=C3C)C |
|
TCMBANKIN044214 |
α-Patchoulene |
KVQOADNSNSUAJT-UHFFFAOYSA-N; alpha-patchoulene; (1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel-; alpha-Patchoulene; AC1LAVYC; .alpha.-Patchoulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a.alpha.-hexahydro-1.beta.,4,9,9-tetramethyl- |
|
204.35 |
|
|
TCMBANKIN044294 |
Tuberostemospironine |
|
|
253.29 |
|
|
TCMBANKIN044447 |
Tussilagine |
tussilagine; 91108-33-7; 80151-77-5; C10411; (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid methyl ester; methyl (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate; (1S,2S,8S)-2-hydroxy-2-methyl-pyrrolizidine-1-carboxylic acid methyl ester |
C10H17NO3 |
199.25 |
CC1(CN2CCCC2C1C(=O)OC)O |
|
TCMBANKIN044652 |
alpha-D-fructofuranose |
CHEBI:37720; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; (2S,3S,4S,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol |
C6H12O6 |
180.156 |
O([H])C([H])([H])[C@](O[H])(O[C@]([H])(C([H])([H])O[H])[C@@]1([H])O[H])[C@@]1([H])O[H] |
|
TCMBANKIN044687 |
isoleosibirin |
|
C24H34O8 |
450.52 |
CCC1C(OC(O1)C2=CSC3C(C(=O)N3C2C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])NC(=O)CC5=NC=CS5)C |
|
TCMBANKIN045190 |
Cyprotene |
|
|
192.34 g/mol |
|
|
TCMBANKIN045207 |
cis-Widdrol alpha-epoxide |
cis-widdrol α-epoxide; cis-widdrol alpha-epoxide |
C15H26O2 |
238.366 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([C@]([H])(O3)C([H])([H])[C@@](C([H])([H])[H])(O[H])C([H])([H])C2([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN045475 |
lismol |
|
|
220.39 |
|
|
TCMBANKIN045507 |
Cnidilide |
3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one; AK608287; 3674-03-1; CHEMBL2252753; DTXSID20190194; cnidilide; CTK4H7060; UXDIXFDKSPCUIX-AXFHLTTASA-N; SCHEMBL11967660; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3alpha,3abeta,7abeta))-; (3s,3as,7ar)-3-butyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3h)-one; C16937; AC1Q6H2P; 3674/3/1; AKOS030573565; CHEBI:80808; AC1L4O3X |
C12H18O2 |
194.27 g/mol |
CCCCC1C2CCC=CC2C(=O)O1 |
|
TCMBANKIN045676 |
Yuziphine |
|
|
299.36 |
|
|
TCMBANKIN045722 |
isofraxinellone |
|
C14H20O3 |
236.307 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@@]2([H])C([H])([H])C([H])([H])OC2([H])[H])OC3=O)[C@]3([H])C(C([H])([H])[H])=C1[H] |
|
TCMBANKIN045804 |
aristolactone |
|
C15H20O2 |
232.32 |
CC1=CCCC2=CC(C(CC1)C(=C)C)OC2=O |
|
TCMBANKIN045832 |
Phlegmariuine-N |
6-Quinolinol,5,7-dimethyl-; ACMC-20c87d; 126552-19-0; Phlegmariuine N; AC1Q79MH; DTXSID50155211; AC1L5034; 5,7-dimethyl-6-quinolinol; phlegmariuine-n; 5,7-dimethylquinolin-6-ol; CTK4B5234; AKOS030558830; AK590135; 6-Hydroxy-5,7-dimethylquinoline |
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN046156 |
przewaquinone c |
|
C18H16O4 |
296.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)O |
|
TCMBANKIN046190 |
agarospirol |
AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL |
C15H26O |
222.37 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
|
TCMBANKIN046193 |
guvacoline |
AKOS006326662; BDBM50024984; 3-(Methoxycarbonyl)-1,2,5,6-tetrahydropyridine; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester; AC1Q5YLM; methyl 1,2,5,6-tetrahydropyridine-3-carboxylate; AK327408; DTXSID20197805; Guvacoline; Methyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate; UNII-YT3OF85P98; AC1L4NPV; Nicotinic acid, 1,2,5,6-tetrahydro-, methyl ester; 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-, methyl ester; FT-0626846; Methyl 1,2,5,6-tetrahydronicotinate; ZINC3638105; C16821; 495-19-2; Norarecoline; CHEBI:80754; YT3OF85P98; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester(norarecoline); Guvacine methyl ester; SCHEMBL3019132; 1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester; methyl 1,2,3,6-tetrahydropyridine-5-carboxylate; DYPLDWLIOGXSSE-UHFFFAOYSA-N; CHEMBL268808; FT-0626845; CTK4J1347; AJ-45185; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester |
C7H11NO2 |
141.17 |
COC(=O)C1=CCCNC1 |
|
TCMBANKIN046268 |
Trans-piperitol |
C03039; trans-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; 75363-65-4; trans-piperitol; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-; (1R,6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; (1R,6R)-6-isopropyl-3-methyl-1-cyclohex-2-enol; 16721-39-4; EINECS 240-777-5; (1R,6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol; (+)-trans-Piperitenol |
C10H18O |
154.249 |
C([H])([H])([H])C1=C([H])[C@]([H])(O[H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN046316 |
Senkyunolide D |
senkyunolide D; senkyunolide-D; senkyunolide d |
|
222.237 |
|
|
TCMBANKIN046392 |
hypaphorine |
NSC130253; AC1MYRI7; MolPort-001-741-904; HMS2271P06; Hypaphorine, >=95% (LC/MS-ELSD); 3-(1H-indol-3-yl)-2-(trimethylammonio)propanoate; CHEMBL448328; NP-005551; SMR000440569; MCULE-3745207364; MLS000876774; SCHEMBL4736466; NSC-130253; 3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate |
C14H18N2O2 |
246.3 g/mol |
C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] |
|
TCMBANKIN046419 |
7-Methoxy-2-methyl isoflavone |
7-methoxy-2-methyl-3-phenylchromen-4-one; MLS001048849; Oprea1_185553; 7-methoxy-2-methyl-3-phenyl-chromone; ZINC00520945; 7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one; MLS000556973; AIDS-130588; 7-methoxy-2-methyl isoflavone; 7-Methoxy-2-methyl-3-phenyl-chromen-4-one; SMR000148090; ST5071001; Oprea1_144261; AIDS130588; 7-methoxy-2-methyl-3-phenyl-4-chromenone; NSC605906 |
|
266.29 |
|
|
TCMBANKIN046503 |
lindestrene |
AC1NSXL4; SCHEMBL13772561; (8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran |
C15H18O |
214.3 |
CC1=COC2=C1CC3C(=C)CC=CC3(C2)C |
|
TCMBANKIN046514 |
Kobusone |
CHEBI:80842; Kobusone; C16983 |
|
222.32 |
|
|
TCMBANKIN046693 |
vulgarole |
|
C12H20O3 |
212.28 g/mol |
CC(=O)OC1C(C2CCC1(C2(C)C)C)O |
|
TCMBANKIN046723 |
melatonin |
|
C13H16N2O2 |
232.28 |
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN046880 |
Senkyunolide J |
senkyunolide j; senkyunolide-J |
|
226.269 |
|
|
TCMBANKIN047091 |
GA118 |
|
|
348.43 |
|
|
TCMBANKIN047216 |
dihydrokaranone |
(?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 |
C15H22O |
218.335 |
C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
|
TCMBANKIN047242 |
Neostenine |
neostenine ; isostenine |
|
277.4 |
|
|
TCMBANKIN047434 |
suberosin |
581-31-7; Suberosin; CHEBI:69041; AC1Q69VY; MEGxp0_001424; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); AIDS-011993; 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; suberosin ; NSC31869; 4CN-1207; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); ZINC1664037; 7-methoxy-6-prenylcoumarin; BDBM50361375; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NSC-31869; CHEMBL1928409; SCHEMBL6273982; RSZDAYHEZSRVHS-UHFFFAOYSA-N; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; ACon1_000574; 7-methoxy-6-(3-methylbut-2-enyl)-2-chromenone; AIDS011993; 7-methoxy-6-(3-methylbut-2-enyl)coumarin; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NP-006524; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; AKOS028108564; MCULE-9562140872; NCI60_002737; CTK5A7890; NSC 31869; MolPort-005-944-812; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; DTXSID20206820; AC1L29TY; SUBEROSIN |
C15H16O3 |
244.286 |
c1(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c([H])c1OC([H])([H])[H] |
|
TCMBANKIN047509 |
Britannilactone |
|
C16H24O4 |
280.359 |
C1(C([H])([H])[H])=C([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(\C(=C(/C([H])([H])[H])[H])\C(=O)O2)[C@@]2([H])C1([H])[H] |
|
TCMBANKIN047553 |
Sinapinic acid |
4-Hydroxy-3,5-dimethoxycinnamic acid; NSC 59261; (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; EINECS 208-487-3 |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
|
TCMBANKIN047661 |
2,3-didehydro GA77 |
|
|
346.41 |
|
|
TCMBANKIN047693 |
Acoramone |
2-Propanone, 1-(2,4,5-trimethoxyphenyl)-; 1-(2,4,5-trimethoxyphenyl)acetone; 2020-90-8; 1-(2,4,5-trimethoxyphenyl)propan-2-one; acoramone |
C12H16O4 |
224.25 |
CC(=O)CC1=CC(=C(C=C1OC)OC)OC |
|
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] |
|
TCMBANKIN047841 |
Benzyl 2-hydroxy-6-methoxybenzoate |
phenylmethyl 2-hydroxy-6-methoxy-benzoate; 2-hydroxy-6-methoxy-benzoic acid benzyl ester; 2-hydroxy-6-methoxybenzoic acid phenylmethyl ester; benzyl 2-hydroxy-6-methoxybenzoate; phenylmethyl 2-hydroxy-6-methoxybenzoate |
C15H14O4 |
258.27 g/mol |
COC1=CC=CC(=C1C(=O)OCC2=CC=CC=C2)O |
|
TCMBANKIN048007 |
9-O-isobutyryl derivative |
|
|
266.37 |
|
|
TCMBANKIN048099 |
Aposiopolamine |
3-OXA-9-AZATRICYCLO[3.3.1.0(2),?]NONAN-7-YL 2-PHENYLPROP-2-ENOATE; Aponorhyoscine; aposiopolamine; 25650-56-0 |
C16H17NO3 |
271.311 |
c1([H])c([H])c([H])c(C(=C([H])[H])C(=O)OC2([H])C([H])([H])[C@]([H])(N([H])[C@]3([H])C2([H])[H])[C@]([H])(O4)[C@@]34[H])c([H])c1[H] |
|
TCMBANKIN048105 |
Seychellane |
|
|
204.39 |
|
|
TCMBANKIN048128 |
homalomenol |
|
C15H26O2 |
238.366 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]2([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN048137 |
3-O-(3-methyl-2-butenoyl) derivative |
|
C16H22O4 |
278.343 |
c1([H])c(C([H])([H])[H])c([H])c(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])O[H])c1[H] |
|
TCMBANKIN048141 |
Dihydro-4-hydroxy-5-hydroxymethyl-2(3H)-furanone |
dihydro-4-hydroxy-5-hydroxymethyl-2(3h)-furanone |
C5H8O4 |
132.115 |
C1([H])([H])C(=O)O[C@]([H])(C([H])([H])O[H])[C@@]1([H])O[H] |
|
TCMBANKIN048149 |
β-Sesquiphellandrene |
beta-sesqui-phellandrene; b-sesquiphellandrene; beta-sesquiphellandrene; beta-Sesquiphellandrene; β- sesquiphellandrene; beta-sesquiphellandrene ; β-sesqui-phellandrene |
|
204.35 |
|
|
TCMBANKIN048265 |
cnidilin |
9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; cnidilin ; cnidilin; 9-methoxy-4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone |
C17H16O5 |
300.306 |
c12c(C([H])=C([H])C(=O)O1)c(OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(oc([H])c3[H])c2OC([H])([H])[H] |
|
TCMBANKIN048392 |
alpha-eudesmol |
92480-60-9; 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol; 75684-39-8; C09663; 473-16-5; α-eudesmol; 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aR,8aR)-; alpha-eudesmol |
C15H26O |
222.366 |
[C@@]1([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])=C([H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN048466 |
Curcumadiol |
Cucumadiol; curcumadiol; 1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene-1,4-diol; 31946-48-2; AC1NSU0P; 1,4-dimethyl-7-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulene-1,4-diol; 7-ISOPROPYL-1,4-DIMETHYL-2,3,3A,5,8,8A-HEXAHYDROAZULENE-1,4-DIOL |
C15H26O2 |
238.37 g/mol |
CC(C)C1=CCC(C2CCC(C2C1)(C)O)(C)O |
|
TCMBANKIN048545 |
rengyoxide |
|
C8H14O3 |
158.2 |
C1CC2(CCC1(O2)CCO)O |
|
TCMBANKIN048756 |
9-acetoxythymol 3-O-tiglate |
9-acetoxythymo l3-o-tiglate |
C17H22O4 |
290.4 g/mol |
CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(C)COC(=O)C |
|
TCMBANKIN048813 |
cnidiadin |
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 2-methylpropanoate; AC1NSTQ7 |
C18H18O5 |
314.333 |
C(OC(c(c([H])c(c(OC1=O)c2C([H])=C1[H])c3c([H])c2[H])o3)(C([H])([H])[H])C([H])([H])[H])(=O)C([H])(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN048919 |
artemisia alcohol |
77363-66-7; (4R)-3,3,6-Trimethyl-1,5-heptadien-4-ol; (4R)-3,3,6-TRIMETHYLHEPTA-1,5-DIEN-4-OL; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, (R)-; CTK2G0253 |
C10H18O |
154.249 |
[C@]([H])(C(C([H])([H])[H])(C([H])=C([H])[H])C([H])([H])[H])(O[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN049068 |
angelicone |
angelicone; CHEMBL1399436; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one; JEDBBFHVVHKMKS-UHFFFAOYSA-N; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)chromen-2-one; 37719-98-5; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2-oxo-2H-chromene; AC1LDCYV; Glabralactone; HMS2197A08; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)-2H-chromen-2-one; 5,7-dimethoxy-8-(3-methyl-1-oxobut-2-enyl)-2-chromenone; SMR000156205; HMS3357G04; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)coumarin; MLS000574874; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one # |
C16H16O5 |
288.295 |
C1(=O)Oc(c(C(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC([H])([H])[H])c([H])c2OC([H])([H])[H])c2C([H])=C1[H] |
|
TCMBANKIN049251 |
nardosinone |
NSC133568; AC1L5TPP; 1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one; CTK7H3177; NSC-133568; nardosinone; 1,1,9,9a-tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5h-naphtho[2,1-c][1,2]dioxol-5-one |
C15H22O3 |
250.333 |
C1([H])([H])C([H])=C(C(=O)C([H])([H])[C@@]([H])(OOC2(C([H])([H])[H])C([H])([H])[H])[C@@]23[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN049640 |
trans-4-Hydroxycyclohexane-1-carboxylic acid |
trans-4-hydroxycyclohexane-1-carboxylicacid |
|
144.17 |
|
|
TCMBANKIN049685 |
ardisianone B |
|
C20H30O4 |
334.45 |
|
|
TCMBANKIN049727 |
Aristolone |
UGVIZCBJCSXBCJ-RQIDDHSMSA-N; Aristol-9-en-8-one #; 6831-17-0; 2H-Cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a.beta.,4,5,6,7,7a,7b.beta.-octahydro-1,1,7.beta.,7a.beta.-tetramethyl-; aristolone; AC1O5EP0; (7R,7aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one |
C15H22O |
218.33 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN049783 |
Artemisia triene |
artemisia triene; (3E)-2,5,5-trimethylhepta-1,3,6-triene; 1,3,6-Heptatriene, 2,5,5-trimethyl-; Artemesia triene |
|
136.23 |
|
|
TCMBANKIN050067 |
furanogermacra-1E,10(15)-dien-6-one |
(1E)- 8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C15H18O2 |
230.302 |
C([H])(=C([H])/C(=C([H])[H])C([H])([H])c(oc([H])c1C([H])([H])[H])c1C(=O)C([H])([H])[C@@]2([H])C([H])([H])[H])/C2([H])[H] |
|
TCMBANKIN050166 |
β-Fenchene |
beta-fenchene; beta-Fenchene |
|
136.26 |
|
|
TCMBANKIN050184 |
3-O-isobutyryl derivative |
|
C15H22O4 |
266.333 |
c1([H])c(C([H])([H])[H])c([H])c(OC(C([H])(C([H])([H])[H])C([H])([H])[H])=O)c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])O[H])c1[H] |
|
TCMBANKIN057915 |
FUM |
U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid |
C4H4O4 |
116.07 |
C(=CC(=O)O)C(=O)O |
|
TCMBANKIN057917 |
OXL |
ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid |
C2H2O4 |
90.03 g/mol |
C(=O)(C(=O)O)O |
|
TCMBANKIN057919 |
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside |
formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA |
HCOOH or CH2O2 |
46.025 g/mol;46.03 |
C(=O)O |
|
TCMBANKIN057923 |
glycin |
Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY |
C2H5NO2 |
75.07 g/mol |
C(C(=O)O)N |
|
TCMBANKIN057929 |
serine |
(s)-serine;H-Ser; Serinum [Latin]; 56-45-1; SCHEMBL1775; L-Serine, Vetec(TM) reagent grade, >=99%; bmse000867; (2S)-2-amino-3-hydroxypropanoic acid; Serine (L-Serine); EC 200-274-3; 6898-95-9; CS-W020136; L-Serine, homopolymer; CHEBI:17115; H-Ser-OH; S0035; L-Serine, PharmaGrade, Ajinomoto, EP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture; 2-Amino-3-hydroxypropanoic acid-, (S)-; b-Hydroxy-L-alanine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-2-Amino-3-hydroxypropanoic Acid; BRN 1721404; EBD2198140; BC676679; Serinum; Serine (VAN); L-Serine;; NSC760115; (S)-(-)-Serine; AJ-24136; L-3-Hydroxy-2-aminopropionic acid; UNII-00PAR1C66F component MTCFGRXMJLQNBG-REOHCLBHSA-N; EINECS 200-274-3; TC-066532; L-Serine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, 98.5-101.0%; ZINC895034; TL806218; (L)-SERINE; 61748-67-2; L-Serine, Vetec(TM), 98.5%; L-Serine, PharmaGrade, Ajinomoto, EP, USP, JP, Manufactured under appropriate controls for use in pharma or biopharmaceutical production, suitable for cell culture; NCGC00015952-01; Serine (USP); beta-Hydroxyalanine; L-Serine, BioUltra, >=99.5% (NT); Racemic serine; L-Serin; (S)-beta-Amino-3-hydroxypropionate; L-(-)-Serine; NSC 118365; Pharmakon1600-01301010; BR-73019; AK-73019; AmbotzHAA1129; (-)-Serine; (S)-alpha-Amino-beta-hydroxypropionic acid; (2S)-2-amino-3-hydroxy-propanoic acid; CTK1G9788; GTPL726; 452VLY9402; DB00133; 88848-EP2289892A1; MFCD00064224; l-2-Amino-3-hydroxy-propanoic acid; (S)-(+)-2-Amino-3-hydroxypropionic acid; Tocris-0226; (2S)-2-AMINO-2-CARBOXY-1-HYDROXYETHYL; AKOS015854115; 154605-73-9; bmse000048; alpha-Amino-beta-hydroxypropionic acid; bmse000809; MolPort-003-939-270; ser; LS-144975; 88848-EP2305825A1; (S)-a-Amino-b-hydroxypropionic acid; serine; RP09655; DB-029983; RP18847; AC1L1LHF; L-Serine (JP17); L-Serine, Pharmaceutical Secondary Standard; Certified Reference Material; AC-1190; .beta.-Hydroxyalanine; KSC269O8R; KB-53386; BDBM50357212; RTC-066532; NCGC00024507-02; NSC-760115; Lopac-S-4250; D00016; Serina; Propanoic acid, 2-amino-3-hydroxy-, (S)-; NCGC00024507-01; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; L-Serine, United States Pharmacopeia (USP) Reference Standard; MCULE-5604658333; AM20100375; (S)-Serine; SC-09827; Tocris-0227; L-2-Amino-3-hydroxypropionic acid; bmse000885; AB1002443; UNII-452VLY9402; beta-Hydroxy-L-alanine; 064S224; Serina [Spanish]; L-Serine, Cell Culture Reagent; HSDB 680; Serine, L-; FT-0693445; Serine, European Pharmacopoeia (EP) Reference Standard; L-serine; 3h-l-serine; C00065; (S)-alpha-Amino-beta-hydroxypropionate; L-Serine, certified reference material, TraceCERT(R); Serine [USAN:INN]; 25821-52-7; .alpha.-Amino-.beta.-hydroxypropionic acid-, (S)-; 2-Amino-3-hydroxypropanoic acid, (S)-; F1905-7047; (S)-2-amino-3-hydroxy-Propanoate; (S)-beta-Amino-3-hydroxypropionic acid; L-Serine, ReagentPlus(R), >=99% (HPLC); (S)-2-Amino-3-hydroxypropionic acid; L-Serine, >=99.0% (NT); SR-01000597708; (S)-2-Amino-3-hydroxypropanoate; AN-24441; ST2408299; BP-13282; (S)-2-amino-3-hydroxy-Propanoic acid; CHEMBL11298; 3-hydroxy-L-Alanine; MTCFGRXMJLQNBG-REOHCLBHSA-N; L-Serine, tested according to Ph.Eur.; D0T6GM; PubChem10994; VC30786; Epitope ID:150900; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-alanine; M-6047; FT-0627627; Z1270387256; SR-01000597708-1; 3AB40D3A-043A-488F-8361-D1BF309F842C; 4-04-00-03118 (Beilstein Handbook Reference); AB0008559; (S)-a-Amino-b-hydroxypropionate; SER (IUPAC abbrev); L-Alanine, 3-hydroxy-; L-ser; ACT08366; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropionic acid; Poly-L-serine; ANW-32514; rac-serine;(S)-2-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoic acid; Serinum [Latin]; S4311_SIGMA; NCGC00024507-02; NSC 118365; Lopac-S-4250; D00016; (2S)-2-amino-3-hydroxypropanoic acid; (-)-Serine; (2S)-2-amino-3-hydroxy-propionic acid; Propanoic acid, 2-amino-3-hydroxy-, (S)-; (S)-alpha-Amino-beta-hydroxypropionic acid; 6898-95-9; (2S)-2-amino-3-hydroxy-propanoic acid; NCGC00024507-01; L-Serine, homopolymer; CHEBI:17115; (S)-2-Amino-3-hydroxypropanoic acid; Polyserine; Propanoic acid, 2-amino-3-hydroxy-, (S); L-3-Hydroxy-alanine; Tocris-0226; (S)-Serine; Tocris-0227; BRN 1721404; L-2-Amino-3-hydroxypropionic acid; beta-Hydroxy-L-alanine; Serina [Spanish]; Serine (VAN); 84959_FLUKA; alpha-Amino-beta-hydroxypropionic acid; HSDB 680; Serine, L-; C00065; 4-04-00-03118 (Beilstein Handbook Reference); L-3-Hydroxy-2-aminopropionic acid; EINECS 200-274-3; L-Serine (JAN); SER (IUPAC abbrev); Serine [USAN:INN]; 25821-52-7; 78682_FLUKA; 2-Amino-3-hydroxypropanoic acid, (S)-; L-Alanine, 3-hydroxy-; S1315_SIGMA; NCGC00015952-01; Serine (USP); Poly-L-serine; beta-Hydroxyalanine; S4500_SIGMA;L-Serin |
C3H7NO3 |
105.09 g/mol |
C(C(C(=O)O)N)O |
|
TCMBANKIN057931 |
DMR |
CHEBI:30796; 02300_FLUKA; Malic acid, L(+)-; L(+)-Malic acid; C00497; InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9; butanedioic acid, 2-hydroxy-; (R)-()-2-Hydroxysuccinic acid; (2R)-2-hydroxysuccinic acid; D-()-Malic acid; D-Hydroxybutanedioic acid; EINECS 211-262-2; (R)-malic acid; Malic acid D-(+)-form; 2-HYDROXY-SUCCINIC ACID; MLS000069520; (2R)-2-hydroxybutanedioic acid; 46940U_SUPELCO; SMR000058580; (+)-D-malic acid; Malic acid, D-; R-malic acid; D- malic acid |
C4H6O5 |
134.09 g/mol |
C(C(C(=O)O)O)C(=O)O |
|
TCMBANKIN057963 |
succinic acid |
NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid |
C4H6O4 |
118.09 g/mol |
C(CC(=O)O)C(=O)O |
|
TCMBANKIN057964 |
Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid |
γ-aminobutyric acid |
C4H9NO2 |
|
C(CC(=O)O)CN |
|
TCMBANKIN058015 |
1(7),8(10)-p-menthadien-9-ol |
1-(4-methylidenecyclohexyl)ethenol; AC1NSXYP;1-(4-methylidenecyclohexyl)ethenol; 1(7),8(10)-p-Menthadien-9-ol;2-(4-Methylenecyclohexyl)-2-propen-1-ol; 2-(4-methylidenecyclohexyl)prop-2-en-1-ol; 2-(4-methylenecyclohexyl)prop-2-en-1-ol; 29548-13-8; p-Mentha-1(7),8(10)-dien-9-ol;p-Mentha-1(7),8(10)-dien-9-ol;BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL;p-mentha-1(7),8(10)-dien-9-ol;1-(4-methylenecyclohexyl)ethenol |
C10H16O |
152.23 g/mol |
C=C1CCC(CC1)C(=C)CO |
|
TCMBANKIN058035 |
1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-;sweroside |
(4aS,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon1_000233; (4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 14215-86-2; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon0_001457; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; MEGxp0_000813 |
C16H22O9 |
358.34 |
C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058038 |
allylglucosinolate |
SINIGRIN_qt |
C10H16KNO9S2 |
397.5 g/mol |
C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+] |
|
TCMBANKIN058052 |
diAllS2 |
3-prop-2-enyldisulfanylprop-1-ene; NSC 29228; Di(2-propenyl) disulfide; W202800_ALDRICH; Allyl disulphide; 3,3'-dithiobis(prop-1-ene); NCI60_002410; ZINC01531082; AI3-35128; SPECTRUM1505174; HSDB 595; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2179-57-9; Allyl disulfide; AIDS-005092; BRN 1699241; Diallyl disulphide; NCGC00095294-01; NSC29228; CHEBI:4488; Disulfide, di-2-propenyl; AIDS005092; C08369; 317691_ALDRICH; 3-allyldisulfanylprop-1-ene; 2-Propenyl disulfide; 3,3'-disulfanediylbis(prop-1-ene); 3-(allyldisulfanyl)-1-propene; 4,5-Dithia-1,7-octadiene; 4-01-00-02098 (Beilstein Handbook Reference); FEMA No. 2028; NCGC00095294-02; EINECS 218-548-6; 32621_FLUKA; CCRIS 6290; Diallyl disulfide; 2-Propenyl disulphide;allyl disulfide;diallyldisulfide;CAS-2179-57-9; DSSTox_RID_79248; CCG-214421; NCI60_002410; C-27435; Jsp004430; AI3-35128; HSDB 595; di-Propenyl disulfide; Allyl disulfide; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; SPECTRUM1505174; ZINC1531082; LS-16413; NCGC00095294-01; DTXSID9035206; TC-040016; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; CHEBI:4488; SCHEMBL93944; MolPort-003-665-653; SR-05000002379; MFCD00008656; Garlicin?; DSSTox_CID_15206; CJ-24085; NSC-29228; Disulfide,di-2-propenyl; TRA0072391; FCH1114751; 2-Propenyl disulphide; Di(2-propenyl) disulfide; 3-(Allyldisulfanyl)-1-propene; 3-Allyldisulfanyl-Propene; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard; AN-20744; FEMA 2028; diAllS2; CTK3J1568; CHEMBL366603; J-014293; Allitin; ACMC-1CDL1; Allyl disulfide, >=80%, FG; BDBM50318453; AC1L28A0; Disulfide, di-2-propen-1-yl; 1,2-Diallyldisulfane; A815665; FEMA No. 2028; 7491AF; NCGC00095294-02; API0002303; AKOS015840490; AK307043; ANW-24581; 3-(prop-2-enyldisulfanyl)prop-1-ene; 5HI47O6OA7; NSC 29228; DB-003623; Allyl disulphide; diprop-2-enyl disulfide; CJ-05228; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, technical grade, 80%; DIALLYL DISULFIDE; 2179-57-9; Diallyldisulfide; ST51038174; KS-00000V5X; 3-(Allyldisulfanyl)-1-propene #; Diallyl disulfide, analytical standard; C6H10S2; 2-Propenyl disulfide; 4,5-Dithia-1,7-octadiene; D0071; EINECS 218-548-6; Diallyl disulfide, >=98% (HPLC); CCRIS 6290; PFRGXCVKLLPLIP-UHFFFAOYSA-N; Tox21_302178; MCULE-7486690483; UNII-5HI47O6OA7; 3-(allyldisulfanyl)prop-1-ene; Di-2-propenyl disulfide, 9CI; I09-0165; RTC-040016; KSC491K6R; NCGC00255533-01; BRN 1699241; Diallyl disulphide; NSC29228; DSSTox_GSID_35206; Disulfide, di-2-propenyl; CC-26440; C08369; 3,3'-disulfanediylbis(prop-1-ene); SC-77190; di-2-Propenyl disulfide; diallyldisulphide; 3-(prop-2-enyldisulfanyl)-1-propene; AC1Q7EA7; FT-0624594; SR-05000002379-1;diallyl disulfide ; diallyl disulfide |
C6H10S2 |
146.27 |
C=CCSSCC=C |
|
TCMBANKIN058094 |
5-HMF |
5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) |
C6H6O3 |
126.11 g/mol |
C1=C(OC(=C1)C=O)CO |
|
TCMBANKIN058096 |
chelidonicacid |
AC1NF5P1; 4-oxopyran-2,6-dicarboxylate; I04-10436; CJ-00939; chelidonate; ZB004336; chelidonic acid;Jerva acid;5-18-08-00646 (Beilstein Handbook Reference); AI3-19253; Chelidonic acid; 382272_ALDRICH; 4-Oxo-1,4-pyran-2,6-dicarboxylic acid; TimTec1_001281; gamma-Pyrone-2,6-dicarboxylic acid; SBB000242; Compound xi*; 99-32-1; Compound XI* (Cherry and Hageman); Jervaic acid; NSC3979; 22500_FLUKA; EINECS 202-749-0; C08476; BRN 0163607; 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-; Jervasic acid; .gamma.-Pyrone-2,6-dicarboxylic acid; 4-ketopyran-2,6-dicarboxylic acid; 2,6-Dicarboxyl-4-pyrone; 4-oxopyran-2,6-dicarboxylic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid; WLN: T6O DVJ BVQ FVQ; AIDS009896; NSC 3979; AIDS-009896 |
C7H4O6 |
184.1 g/mol |
C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
|
TCMBANKIN058124 |
protocatechualdehyde |
UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 |
C7H6O3 |
138.12 |
C1=CC(=C(C=C1C=O)O)O |
|
TCMBANKIN058163 |
hydroxytyrosol |
AIDS470832; 10597-60-1; beta-3,4-Dihydroxyphenylethyl alcohol; 4-(2-hydroxyethyl)pyrocatechol; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 3,4-Dihydroxyphenylethanol; 2-(3,4-Dihydroxyphenyl)ethanol; dopet; AIDS-470832; 4-(2-hydroxyethyl)benzene-1,2-diol; Hydroxytyrosol; ST5437419; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol |
C8H10O3 |
154.16 g/mol |
C1=CC(=C(C=C1CCO)O)O |
|
TCMBANKIN058213 |
kaemferol;kampferol;kaempferol;campherol |
TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN058229 |
daidzein |
Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 |
C15H10O4 |
254.24 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
|
TCMBANKIN058270 |
p-quinone;Quinone |
Chinon [Dutch, German]; EPA Pesticide Chemical Code 059805; p-Benzoquinone; 54560-36-0; 1,4-Dioxy-benzol; 1,4-Diossibenzene; Benzo-chinon; Lopac-B-1266; 1,4-Diossibenzene [Italian]; Lopac0_000120; EINECS 203-405-2; benzo-1,4-quinone; UN2587; HSDB 1111; USAF P-220; 3225-29-4; 106-51-4; C15602; Benzo-chinon [German]; 1,4-Cyclohexadienedione; NSC36324; c0261; 1,4-Dioxy-benzol [German]; 1,4-Benzoquinone; Caswell No. 719C; RCRA waste no. U197; Steara pbq; 19052-63-2; quinone; p-Quinone; Semiquinone anion; AIDS-000153; 1,4-Benzoquine; para-Quinone; WLN: L6V DVJ; CHEBI:16509; Chinone; semiquinone radicals; C00472; B10358_ALDRICH; 1,4-Cyclohexadiene dioxide; InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4; CCRIS 933; p-Chinon [German]; Cyclohexadienedione; 2,5-Cyclohexadiene-1,4-dione; Benzoquinone; 1,4-Dioxybenzene; Cyclohexadiene-1,4-dione; RCRA waste number U197; Quinone1,4-Benzoquinone; cyclohexa-2,5-diene-1,4-dione; NCGC00015139-01; NCGC00091053-01; 12309_FLUKA; p-Chinon; NCI-C55845; para-Benzoquinone; AI3-09068; Benzoquinone [UN2587] [Poison]; 1,4-Benzochinon; EU-0100120; NSC 36324; 2,5-Cyclohexadiene-1,4-dione, radical ion(1-); 51226-74-5; AIDS000153 |
C6H4O2 |
108.09 g/mol |
C1=CC(=O)C=CC1=O |
|
TCMBANKIN058271 |
coumalic acid |
Cumalic acid; 6-ketopyran-3-carboxylic acid; 500-05-0; EINECS 207-899-0; 2-Oxo-1,2H-pyran-5-carboxylic acid; SBB004170; AIDS002612; 2H-Pyran-5-carboxylic acid, 2-oxo-; 2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone; alpha-Pyrone-5-carboxylic acid; 28130_FLUKA; InChI=1/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9; 6-oxopyran-3-carboxylic acid; NSC 22978; 2-Oxopyran-5-carboxylic acid; 2-Pentenedioic acid, 4-(hydroxymethylene)-, .delta.-lactone; Coumalic acid; 6-oxo-3-pyrancarboxylic acid; C85409_ALDRICH; 2-Pyrone-5-carboxylic acid; NSC22978; .alpha.-Pyrone-5-carboxylic acid; AIDS-002612; 2-oxo-2H-pyran-5-carboxylic acid |
C6H4O4 |
140.09 g/mol |
C1=CC(=O)OC=C1C(=O)O |
|
TCMBANKIN058293 |
BOX |
FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid |
C7H6O2 |
122.12 |
C1=CC=C(C=C1)C(=O)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 |
|
TCMBANKIN058319 |
chrysin |
NCI60_003886; AIDS-001398; NCGC00094842-05; Spectrum5_001503; 5,7-dihydroxy-2-phenyl-chromen-4-one; 5,7-dihydroxy-2-phenyl-4H-chromen-4-one; CAS-480-40-0; AIDS001398; Spectrum3_001399; KBio3_002238; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- (9CI); NCGC00094842-04; 5,7-dihydroxy-2-phenyl-4-chromenone; BPBio1_000746; SPBio_000766; 5-18-04-00076 (Beilstein Handbook Reference); SPBio_002897; SBB012459; KBioSS_000725; SPECTRUM1500709; BSPBio_003018; KBio2_000725; chrysin ; Prestwick2_000889; 5,7-dihydroxyflavone; Spectrum4_000780; FLAVONE, 5,7-DIHYDROXY-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; Spectrum_000245; Spectrum2_000753; KBio2_003293; 5,7-diOH-Flavone; SDCCGMLS-0066586.P001; KBio1_000614; NCGC00016456-01; SPECTRUM1505144; IDI1_000614; EINECS 207-549-7; Oprea1_045160; SMP1_000070; Prestwick3_000889; Chrysine; KBio2_005861; Prestwick1_000889; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; S00112; NCGC00094842-01; NCGC00094842-03; MEGxp0_001416; C80105_ALDRICH; DivK1c_000614; 5,7-dihydroxy-2-phenyl-chromone; KBioGR_001200; NCGC00094842-02; 5,7-Dihydroxyflavone; NINDS_000614; BSPBio_002514; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; ZINC00057650; 480-40-0; ACon1_000087; 27214_FLUKA; C10028; NSC 407436; BRN 0233276; Prestwick0_000889; NSC407436; BSPBio_000678; Chrysin; 5,7-dihydroxyflavone |
C15H10O4 |
254.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058324 |
isoflavone |
genistein(1-); 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; isoflavone ; CHEBI:74224; ST5331741; 574-12-9; 3-phenylchromen-4-one; 3-Phenylchromone; 4H-1-Benzopyran-4-one, 3-phenyl- (9CI); 3-phenyl-4H-1-benzopyran-4-one; NSC 135405; C00799; 3-phenyl-4-chromenone; CHEBI:18220; NSC135405; AIDS-002244; Isoflavone (8CI); 3-phenyl-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 3-phenyl-; Isoflavone; AIDS002244; Isoflavon |
C15H10O2 |
222.24 g/mol |
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O |
|
TCMBANKIN058367 |
indirubin |
NSC-105327; KBio2_000450; 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; 2-(2-oxo-3-indolinylidene)-3-indolinone; Couroupitine B; [.DELTA.2,3'-Biindoline]-2',3-dione; MLS000759416; 479-41-4; 5-24-08-00507 (Beilstein Handbook Reference); KBio3_000839; NSC105327; NSC 105327; (2E)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; KBioGR_000450; Indigopurpurin; KBioSS_000450; (2E)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; indirubin ; (delta2,3'-Biindoline)-2',3-dione (8CI); 2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (delta(sup 2,3')-BIINDOLINE)-2',3-DIONE; Indirubin; (2E)-2-(2-oxoindolin-3-ylidene)indolin-3-one; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-; SMR000466311; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (9CI); BRN 0088279; C.I. 73200; KBio2_005586; (2E)-2-(2-oxo-3-indolinylidene)-3-indolinone; Indigo Red; KBio2_003018; EM-A05-INDIRUBIN; 2-(2-oxoindolin-3-ylidene)indolin-3-one; KBio3_000840; Bio2_000395; Bio2_000875; (2Z)-2-(2-oxo-3-indolinylidene)-3-indolinone; (2Z)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; IDI1_002150; BSPBio_001110; NCGC00163356-01; BiomolKI2_000073; NCGC00163356-02; NCGC00163356-03; BiomolKI_000069; (2Z)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one |
C16H10N2O2 |
262.26 |
C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O |
|
TCMBANKIN058375 |
tryptophan |
(3s)2,3-dihydro-l-tryptophan; ZINC32141959;tryptophane;WV;L-tryptophan;HSDB 4142; Tryptophan, L-(8CI); AC1Q4U80; L-Tryptophan, Vetec(TM) reagent grade, >=98%; alpha-Aminoindole-3-propionic acid; SR-01000075590-1; ZINC83315; 1-beta-3-Indolylalanine; L-(-)-Tryptophane; MolPort-044-812-611; IDI1_000457; MFCD00064340; L-2-Amino-3-indolepropionic acid; 8DUH1N11BX; STR02722; NCGC00261868-01; EU-0101183; Lopac0_001183; Tryptophan, L-; 80206-30-0; Tryptophan, European Pharmacopoeia (EP) Reference Standard; (s)-a-amino-b-indolepropionate; Tox21_201246; L-Trytophan; bmse000868; TC-066620; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; Sedanoct; UNII-8DUH1N11BX; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; Propionic acid, 2-amino-3-indol-3-yl; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; NCI-C01729; (S)-alpha-Aminoindole-3-propionate; L-Tryptophan, Cell Culture Reagent; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; bmse001017; AB1007074; tryptophan; BB_NC-1911; 2-amino-3-indol-3-ylpropionic acid; 154635-35-5; Pacitron; L-tryptophan; 2-Amino-3-indolylpropanoate; CTK2H7431; NCGC00094437-01; 2-Amino-3-indolylpropanoic acid; TRP NH3+ COOH; ZX-AT022248; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; HMS3263N07; L-TRYPTOPHAN SIGMA GRADE; alpha-Amino-3-Indoleproprionic Acid; Tryptophan (USP/INN); L-Tryptophan (9CI); D05EJG; A7403; (L)-TRYPTOPHAN; KSC377I3D; 1H-Indole-3-alanine; Alanine, 3-indol-3-yl-; NCGC00254424-01; MCULE-8004234494; (S)-1H-Indole-3-alanine; AKOS015854052; CHEBI:16828; LP01183; Lopac-T-0254; CHEMBL54976; GTPL717; 3-Indol-3-ylalanine; F0001-2364;HSDB 4142; MT1; T0254_SIAL; tryptophan (H-3); 1-beta-3-Indolylalanine; NChemBio.2007.20-comp7; IDI1_000457; EU-0101183; Lopac0_001183; 80206-30-0; (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; Sedanoct; Propionic acid, 2-amino-3-indol-3-yl-; NINDS_000457; BB_NC-1911; Pacitron; 2-Amino-3-indolylpropanoic acid; (S)-2-Amino-3-(3-indolyl)propionic acid; Indole-3-alanine; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; Tryptophan (USP/INN); L-Tryptophan (9CI); (L)-TRYPTOPHAN; Alanine, 3-indol-3-yl-; AIDS011920; CHEBI:16828; AIDS-011920; Lopac-T-0254; 3-Indol-3-ylalanine; C00078; Tryptan; TRP-01; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; 1H-Indole-3-alanine (VAN); AI3-18478; LS-185087; L-alpha-Aminoindole-3-propionic acid; SMR000326686; L-Alanine, 3-(1H-indol-3-yl)-; L-Trp; L-alpha-Amino-3-indolepropionic acid; Tryptophane; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; L-Tryptofan; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; (-)-Tryptophan; MLS001056750; alpha'-Amino-3-indolepropionic acid; Indoe-3-propionic acid, alpha-amino-; LTR; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; T8941_SIGMA; (S)-alpha-Amino-beta-indolepropionic acid; NSC 13119; CCRIS 617; L-Tryptophane; Tryptophane [French]; Tryptophanum [Latin]; 93659_FLUKA; D00020; Ardeytropin; DivK1c_000457; EINECS 200-795-6; EH 121; Tryptophan, L- (8CI); Triptofano [Spanish]; L-beta-3-Indolylalanine; KBio1_000457; L-(-)-tryptophan; Kalma; NCGC00015994-01; Lyphan; Tryptophan (VAN); h-Trp-oh; Tryptophan [USAN:INN]; L-Tryptophan (JP15); T4196_SIAL Pharmakon1600-01500600; triptofano; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; 2-Amino-3-(lH-indol-3-yl)-propanoic acid; DTXSID5021419; L-Ttp; Tryptophanum; AM82273; C00078; Tryptan; TRP-01; AJ-10635; L-Tryptophan, BioUltra, >=99.5% (NT); KB-53414; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; (S)-Tryptophan; (S)-a-Aminoindole-3-propionic acid; 2a4m; L-Tryptophan, reagent grade, >=98% (HPLC); 1H-Indole-3-alanine (VAN); AI3-18478; trytophan; LS-185087; BIT0720; CS-W020011; L-alpha-Aminoindole-3-propionic acid; AC1L1M8F; QIVBCDIJIAJPQS-VIFPVBQESA-N; SMR000326686; D-Trp-OH; Tryptophan (L-Tryptophan); L-Alanine, 3-(1H-indol-3-yl)-; CAS-73-22-3; Tox21_501183; L-Trp; OR28930; T 0254; ST2419449; alpha-Amino-beta-(3-indolyl)-propionic acid; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; ZX-AFC000605; DSSTox_GSID_21419; Tryptophane; 73T223; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; (S)-alpha-Amino-1H-indole-3-propanoic acid; alpha-Amino-3-indolepropionic acid, L-; Epitope ID:136043; AX8034769; DSSTox_CID_1419; L-Tryptofan; S(-)-1-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine, (S)-; 1beta-3-Indolylalanine; PubChem10984; (-)-Tryptophan; BDBM21974; MLS001056750; (s)-alpha-amino-beta-indolepropionate; CCG-205257; alpha'-Amino-3-indolepropionic acid; NCGC00094437-02; Indoe-3-propionic acid, alpha-amino-; NSC757373; C-48302; (S)-a-Amino-b-indolepropionic acid; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Indole-3-propionic acid, alpha-amino-; (S)-alpha-Aminoindole-3-propionic acid; L(-)-Tryptophan; DSSTox_RID_76152; DB-029986; SR-01000075590; BP-13286; l-b-3-Indolylalanine; Alanine, 3-indol-3-yl; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; ACT08662; DB00150; NCGC00258798-01; LS-1622; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-indolepropionic acid; NCGC00094437-04; BR-50074; AB00373874_05; RTC-066620; bmse000050; NSC 13119; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture; alpha-amino-beta-(3-indolyl)-pr opionic acid; GM0674; CCRIS 617; L-Tryptophane; Tryptophanum [Latin]; Tryptophane [French]; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan (H-3); (S)-a-Amino-1H-indole-3-propanoate; Tox21_300359; trp; AK-50074; Alti-Tryptophan; ANW-36308; Ardeytropin; D00020; DivK1c_000457; L-Tryptophan (JP17); (S)-(-)-Tryptopha n; NCGC00094437-03; L-Trp-OH; EINECS 200-795-6; (S)-2-Amino-3-(3-indolyl)propionic acid; L-; EH 121; EC 200-795-6; Optimax; L-Trytophane; HMS501G19; Tryptophan, L- (8CI); NSC-757373; M02943; (S)-(-)-Tryptophan; HTS001390; RP26086; Triptofano [Spanish]; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; L-beta-3-Indolylalanine; A-Amino-3-indolepropionic acid; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; MolPort-001-794-499; KBio1_000457; BG00603884; 73-22-3; Kalma; NCGC00015994-01; AN-8742; 3-(1H-indol-3-yl)-L-Alanine; FT-0627592; Lyphan; Tryptophan (VAN); trofan; L-Tryptophan premix; L-Tryptophan, Vetec(TM), 98.5%; AC-17050; L-alpha-amino-3-indolepropionic acid; h-Trp-oh; 1qaw; SCHEMBL7328; Tryptophan [USAN:INN]; L-(-)-Tryptophan; L-Tryptophan (JP15); phosphatidylserine; (S)-alpha-Amino-1H-indole-3-propanoate; l-a-Aminoindole-3-propionic acid; D-2-Amino-3-indolepropionic acid; Z1245635763; (S)-a-Aminoindole-3-propionate; tryptacin |
C11H12N2O2;C3H8NO6P |
204.22 g/mol;185.07g/mol |
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
|
TCMBANKIN058389 |
3-(2'-hydroxyphenyl)-4-(3h)-quinazolinone |
3-(2-hydroxyphenyl)quinazolin-4-one;3-(2-Hydroxyphenyl)-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(o-hydroxyphenyl)-; 3-(2'-Hydroxyphenyl)-4-(3H)-quinazolinone; 3-(2-hydroxyphenyl)-4-quinazolinone |
C14H10N2O2 |
238.24 g/mol |
C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=CC=C3O |
|
TCMBANKIN058390 |
tryptanthrine |
AC1L2K2A; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; HMS2271H05; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; SR-01000521538; J-006143; AX8156048; BDBM50240612; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; AC1L2K2A; indolo[2,1-b]quinazoline-6,12-quinone; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; tryptanthrin ; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; indolo[2,1- b]quinazoline alkaloid; HMS2271H05; indolo-[2,1-b]-quinazoline-6,12-dione; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; AIDS017287; SR-01000521538; J-006143; ZINC00033299; AX8156048; BDBM50240612; 6,12-dihydro-6, 12-dioxoindolo-(2,1-b)-quinazoline; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; AIDS-017287; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; tryptanthrin |
C15H8N2O2 |
248.24 g/mol |
C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2 |
|
TCMBANKIN058473 |
L-arabinose |
l-arabinose;arabinose;ARA;Arabinose;(2R,3R,4S,5S)-oxane-2,3,4,5-tetrol; (2R,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol; ZINC01532575; CHEBI:46987; alpha-L-arabinopyranose; C02479; beta-L-Arabinose |
C5H10O5 |
150.13 g/mol |
C1C(C(C(C(O1)O)O)O)O |
|
TCMBANKIN058499 |
2-deoxy-d-ribono-1,4-lactone |
AKOS022184490; CHEMBL98888; (4S,5R)-4-Hydroxy-5-(hydroxymethyl)dihydro-2(3H)-furanone; Deoxyribonolactone; ZINC4095906; DS-18636; 2-Deoxy-D-ribonic-1,4-lactone; 2,4,5-Trihydroxypentanoic acid gamma-lactone; MolPort-044-811-631; MolPort-028-959-565; 2-deoxy-D-erythro-pentonic acid gamma-lactone; 371D147; 2-deoxyribono-1,4-lactone; KS-0000054H; 2-Deoxy-D-ribonic acid-1,4-lactone; CTK8F4238; AC1L4Q4T; AJ-47976; CHEBI:17281; 819081-95-3; 2-Deoxy-ribono-1,4-lactone; 73209-20-8; 2-Deoxyribonolactone; AK-98144; (4s,5r)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3h)-one(non-preferred name); (4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-one; FCH3768656; 34371-14-7; K-7845; (4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one; BG01497364; FT-0773511; PubChem20488; 2'-Deoxyribolactone; AC1Q2AOY; YIXDEYPPAGPYDP-IUYQGCFVSA-N; 2-Deoxy-D-ribono-1,4-lactone, >=95% (GC); SCHEMBL3394583; ACN-040698; C02674; MFCD15144952; W-202407; D-erythro-Pentonic acid, 2-deoxy-, gamma-lactone; 2-deoxy-D-ribono-1,4-lactone;Deoxyribonolactone |
C5H8O4 |
132.11 g/mol |
C1C(C(OC1=O)CO)O |
|
TCMBANKIN058500 |
DUR |
D5412_SIGMA; AIDS113822; ZINC00155696; BRN 0024433; 4-24-00-01200 (Beilstein Handbook Reference); 1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1-H-pyrimidine-2,4-dione; NCGC00142492-01; 2'-Deoxyuridine; 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; C00526; CCRIS 2832; AIDS-113822; MLS001066344; dURD; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-; NSC 23615; SMR000112296; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 20649-53-0; ST057093; EINECS 213-455-7; 2′-Deoxyuridine; 1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil; deoxyuridine |
C9H12N2O5 |
228.2 g/mol |
C1C(C(OC1N2C=CC(=O)NC2=O)CO)O |
|
TCMBANKIN058511 |
proanthocyanidin b2 |
29106-49-8; AC1L3V5O; EC-(4b,8)-EC; SC-83395; Procyanidol B2; (+)-Procyanidin B2; CS-5982; (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; AK554017; (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; Procyanidin dimer B2; (-)-Epicatechin-(4.beta.-8)-(-)-epicatechin; X1213; XFZJEEAOWLFHDH-NFJBMHMQSA-N; N2517; L88HKE854X; LMPK12030002; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; NSC 623097; Procyanidin B2; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin B-2; Ambap29106-49-8; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; C17639; J-017393; Proanthocyanidin B2; ZINC26490614; Procyanidin B2, analytical standard; cis,cis""-4,8""-Bi(3,3',4',5,7-pentahydroxyflavane); (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-; CHEMBL38714; Epicathechin-(4beta->8)-epicathechin; (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; FT-0686683; SCHEMBL288579; 2,3-cis-proanthocyanidin; C30H26O12; AC1Q7ABR; MFCD01861513; UNII-L88HKE854X; AKOS008901339; MolPort-003-932-480; CHEBI:75632; HY-N0796; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; X1212; EBD2184995; Procyanidin-B2; (2r,2'r,3r,3'r,4r)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2h,2'h-4,8'-bichromen-3,3',5,5',7,7'-hexol; Epicatechin(4b->8)catechin; SCHEMBL676745; (4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol; Q-100247; Procyanidin dimer B1; 20315-25-7; (2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; AKOS030530133; Epicatechin-(4beta->8)-ent-epicatechin; procyanidin b1; LMPK12030001; Proanthocyanidin B1; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol; ZINC26490620; EC-(4b,8)-C; HY-N0795; BG01789588; (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-4-[(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-YL]-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; cis,trans′′-4,8′′-Bi-(3,3′,4′,5,7-Pentahydroxyflavane); Endotelon; CHEBI:75633; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 19542_FLUKA; AK554016; Procyanidol oligomer; CS-5955; UNII-0566J48E7X; Procyanidin-B1; 4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane); Ambap20315-25-7; Epicatechin(4beta->8)catechin; cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane); (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol; 0566J48E7X; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; CHEMBL504937; (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; XFZJEEAOWLFHDH-UKWJTHFESA-N; Procyanidin B1, analytical standard; MFCD01861512; C30H26O12; V0244; MolPort-003-927-506; cis,trans inverted exclamation marka inverted exclamation marka-4,8 inverted exclamation marka inverted exclamation marka-Bi-(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane); FT-0686682; Procyanidin B; Procyanidin B1; proanthocyanidin b1 |
C30H26O12 |
578.5 g/mol |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
|
TCMBANKIN058547 |
(2R)-flavanone |
ZINC00058113; CHEBI:36105; (2R)-2-phenylchroman-4-one; (2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one; (2R)-2-phenyl-4-chromanone |
C15H12O2 |
224.25 |
C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 |
|
TCMBANKIN058580 |
pyroglutamicacid |
pyroglutamic acid; InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9; EINECS 202-700-3; C02238; Pyroglutamic acid; PYRROLIDONE-5-CARBOXYLIC ACID; 16891-48-8; Proline, 5-oxo-, L-; P5960_SIGMA; L-5-Oxo-2-pyrrolidinecarboxylic acid; CHEBI:18183; (2S)-5-oxopyrrolidine-2-carboxylic acid; 2-L-Pyrrolidone-5-carboxylic acid; (S)-PYROGLUTAMIC ACID; NSC9966; AJIDEW A-100; GLUTIMIC ACID; P75202_ALDRICH; GLUTIMINIC ACID; 83160_FLUKA; 35255-51-7; L-PYRROLIDONECARBOXYLIC ACID; (S)-(−)-2-Pyrrolidone-5-carboxylic acid; 5-OXO-2-PYRROLIDINECARBOXYLIC ACID; Acide pidolique [INN-French]; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (-)-2-Pyrrolidone-5-carboxylic acid; (2S)-5-oxo-2-pyrrolidinecarboxylic acid; L-5-Carboxy-2-pyrrolidinone; 2-Benzothiazolesulfenic acid morpholide; 5-Pyrrolidinone-2-carboxylic acid; NCGC00160613-01; Pyroglutamate; NSC 9966; 5-Carboxy-2-pyrrolidinone; 2-Pyrrolidinone-5-carboxylic acid; Proline, 5-oxo-; NSC 143034; 6886-28-8; L-GLUTIMINIC ACID; 498-91-9; NSC11742; EINECS 223-735-0; SBB004232; 29222-42-2; PYRROLIDINONECARBOXYLIC ACID; Pidolic acid; 2-Pyrrolidone-5-carboxylate; L-Proline, 5-oxo-; 5-Pyrrolidone-2-carboxylic acid; OXOPROLINE; Acidum pidolicum [INN-Latin]; C01879; 5-Oxoproline; Pidolic acid [INN]; Pyrrolidonecarboxylic acid; PYROGLUTAMIC ACID, (L); 2-PYRROLIDONE-5-CARBOXYLIC ACID (L); 2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; 87430-62-4; L-PYRROLIDINONECARBOXYLIC ACID; L-Glutamic acid gamma-lactam; nchembio756-comp7; (5S)-2-Oxopyrrolidine-5-carboxylic acid; L-5-Oxoproline; L-2-PYRROLIDONE-5-CARBOXYLIC ACID; Acido pidolico [INN-Spanish]; L-GLUTIMIC ACID; 2-Pyrrolidone-5-carboxylic acid; Pca |
C5H7NO3 |
129.11 g/mol |
C1CC(=O)NC1C(=O)O |
|
TCMBANKIN058584 |
rengyolone |
rengynic acid;2-(1,4-dihydroxycyclohexanyl)-aceticacid |
C8H14O4 |
174.19 g/mol |
C1CC(CCC1O)(CC(=O)O)O |
|
TCMBANKIN058586 |
Prolinum |
(-)-Proline (S)-2-Carboxypyrrolidine; 18875-45-1; (2S)-2-pyrrolidinecarboxylic acid; P5607_SIGMA; L-Proline-15N; AIDS018625; 4305-67-3; L-Proline, labeled with carbon-14; L-Proline (JAN); L-(-)-Proline; CHEBI:17203; 37159-97-0; Carboxypyrrolidine; P0380_SIAL; (-)-(S)-Proline; Proline (USP); D00035; NCGC00014017; W331902_ALDRICH; (2S)-pyrrolidine-2-carboxylic acid; (S)-pyrrolidine-2-carboxylic acid; L-Prolin; NSC-97923; P8865_SIAL; nchembio816-comp9; AIDS-018625; L-(2,3-3H)Proline; C00148; 4607-28-7; 81710_FLUKA; (2S)-proline; 608998_ALDRICH; 81709_FLUKA; proline |
C5H9NO2 |
115.13 g/mol |
C1CC(NC1)C(=O)O |
|
TCMBANKIN058595 |
3-oxiranyl-7-oxabicyclo[4.1.0]heptane |
7-Oxabicyclo[ 4.1.0] heptane, 3-oxiranyl- |
C8H12O2 |
140.18 |
C1CC2C(O2)CC1C3CO3 |
|
TCMBANKIN058612 |
Zyklohexen |
CHEBI:36404; 7493-04-1; 110-83-8; 3,4,5,6-Tetrahydrobenzene; 83224-EP2274983A1; 83224-EP2270114A1; 195642-EP2277872A1; 91500-EP2295429A1; 195642-EP2272972A1; Cyclohexene-3-ylradical; cyclohex-2-enyl; 91500-EP2284157A1; 195642-EP2272973A1; Cyclohexene; 83224-EP2292596A2; 1-cyclohex-2-enyl; 2-cyclohexenyl; 91500-EP2305668A1; 83224-EP2305655A2; cyclohexene; InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H; Cyclohexene; Tetrahydrobenzene; Cyclohexene [UN2256] [Flammable liquid]; 3-Cyclohexenyl radical; Benzenetetrahydride; WLN: L6UTJ; 1,2,3,4-Tetrahydrobenzene; 125431_ALDRICH; UN2256; Benzene, tetrahydro-; 4-Cyclohexenyl radical; 33004-06-7; 1-cyclohexene; Cykloheksen [Polish]; EINECS 203-807-8; NSC 24835; 4-05-00-00218 (Beilstein Handbook Reference); AI3-03146; Hexanaphthylene; 15650-80-3; Benzene tetrahydride; Cyclohex-1-ene; BRN 0906737; NSC24835; Cykloheksen; HSDB 1624; 44028_FLUKA |
C6H10 |
82.14 g/mol |
C1CCC=CC1 |
|
TCMBANKIN058617 |
Ambrettolid |
KBioGR_001815; omega-6-Hexadecenlactone; Hexadec-7-en-16-olide; ambrettolid; Oxacycloheptadec-8-en-2-one, (8Z)-; Natural musk ambrette; 17598-28-6; OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-; DivK1c_006499; 123-69-3; Spectrum4_001178; 16-Hydroxy-7-hexadecenoic acid lactone; SpecPlus_000403; Musk natural; KBio3_001782; KBio1_001443; (8Z)-1-oxacycloheptadec-8-en-2-one; Oxacycloheptadec-8-en-2-one; Musk ambrette (natural); Ambrettolide; 1-oxacycloheptadec-8-en-2-one; AI3-30957; EINECS 204-644-5; Spectrum3_001041 |
C16H28O2 |
252.39 |
C1CCCCOC(=O)CCCCCC=CCCC1 |
|
TCMBANKIN058637 |
fagomine |
475630-67-2; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)- (9CI); CHEMBL1818436; AKOS027407919; (+)-1,2-Dideoxygalactostatine; BDBM50350760; AK450766; (2S,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol; FAG; 53185-12-9; 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)-; (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol; C10144; (2R,3R,4R)-2-methylolpiperidine-3,4-diol; AIDS-001131; Fagomine; 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol; D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino-; AIDS001131 |
C6H13NO3 |
147.17 g/mol |
C1CNC(C(C1O)O)CO |
|
TCMBANKIN058649 |
1,2-dithiolane |
Dithiolane;1,2-Dithiolane; 1,2-Dithiacyclopentane; CHEBI:38226; CHEBI:38079; 1,3-Dithiacyclopentane; 467979_ALDRICH; NSC193357; InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H; 4829-04-3; ZINC01733027; NSC 193357; NSC 243807; 1,3-DITHIOLANE; NSC243807; 557-22-2 |
C3H6S2 |
106.21 g/mol |
C1CSSC1 |
|
TCMBANKIN058657 |
Cepharanone A |
Aristolactam II; 4-27-00-06583 (Beilstein Handbook Reference); BRN 0260559; CCRIS 2577; 55610-00-9; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one; aristolactam ii |
C16H9NO3 |
263.25 |
C1OC2=C(O1)C3=C4C(=C2)C(=O)NC4=CC5=CC=CC=C53 |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058692 |
1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-,Acetate |
Perillylacetate;Perillyl acetate;(4-isopropenyl-1-cyclohexen-1-yl)methylacetate |
C12H18O2 |
194.27 g/mol |
CC(=C)C1CCC(=CC1)COC(=O)C |
|
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|
TCMBANKIN058725 |
1-ethenyl-1-methy-2-(1-methylethenyl)-4-(methylethylldene)-cyclohexane |
elixene;cyclohexane,1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-;elixen;gamma-elemene;.gamma.-Elemene |
C15H24 |
204.35 g/mol |
CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C |
|
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 |
|
TCMBANKIN058728 |
Artemisia ketone |
3,3,6-Trimethyl-1,5-heptadien-4-one #; UNII-0JA03K53PD; Isoartemisia ketone; OTYVBQZXUNBRTK-UHFFFAOYSA-N; 1,5-Heptadien-4-one,3,3,6-trimethyl-; artemisia ketone ; ZINC1846548; 546-49-6; 1,5-Heptadien-4-one, 3,3,6-trimethyl-; Isoartemisiaketon; 11105_FLUKA; AC1Q5BHU; EINECS 208-903-3; SCHEMBL3159032; 3,3,6-Trimethyl-1,5-heptadien-4-one; CTK5A2078; 0JA03K53PD; artemisia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; Artemesia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; 3,3,6-Trimethylhepta-1,5-dien-4-one; Artemesia; DTXSID60203030; FT-0691953; CJ-30255; AC1L29KD; 3,3,6-trimethyl-hepta-1,5-dien-4-one; KB-47443 |
C10H16O |
152.23 |
CC(=CC(=O)C(C)(C)C=C)C |
|
TCMBANKIN058730 |
MESACONATE |
(E)-2-methylbut-2-enedioic acid; Butenedioic acid, methyl-, (E)-; NSC65438; 2-methylfumarate; 498-24-8; (2E)-2-METHYLBUT-2-ENEDIOIC ACID; Fumaric acid, methyl-; BRN 1722680; WLN: QVY1&U1VQ; EINECS 207-859-2; 131040_ALDRICH; (E)-2-methyl-2-butanedionic acid; 2-Butenedioic acid, 2-methyl-, (Z)-; 2-Butenedioic acid, 2-methyl-, (2E)-; Maleic acid, methyl-; NSC32949; mesaconic acid; MESACONIC ACID, MESACONATE; C01732; 2-Butenedioic acid, 2-methyl-, (E)-; WLN: QVY1&U1VQ -T; 2-Methylfumaric acid; 4-02-00-02231 (Beilstein Handbook Reference); 2-Butenedioic acid, 2-methyl-, (E)- (9CI); NSC 65438; cis-Methylbutenedioic acid; Methylfumaric acid; 2-methylbut-2-enedioic acid; trans-1-Propene-1,2-dicarboxylic acid; Kyselina mesakonova [Czech]; 63880_FLUKA; trans-2-Methyl-2-butenedioic acid;mesaconic acid;mesaconicacid |
C5H6O4 |
130.1 |
CC(=CC(=O)O)C(=O)O |
|
TCMBANKIN058735 |
3-(3-methylbut-2-enylidene)oxindole |
3-(3-methylbut-2-enylidene)-1H-indol-2-one; 3-(3-methylbut-2-enylidene)-2-indolinone; 3-(3-methylbut-2-enylidene)indolin-2-one;(e)-3-(3'-methyl-2'-buteny lidene)-2-indolinone;(e)-3-(3'-methyl-2'-butenylidene)-2-indolinone |
C13H13NO |
199.25 g/mol |
CC(=CC=C1C2=CC=CC=C2NC1=O)C |
|
TCMBANKIN058739 |
crocetin |
2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI); C08588; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; AIDS-073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-;.alpha.-Crocetin; 8,8'-diapo-8,8'-carotenedioate; 8,8'-diapo-psi,psi-carotenedioate; AIDS073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-; Crocetin; 27876-94-4; crocetin(2-); 8,8'-Diapocarotenedioic acid; NCI60_003871; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; LMPR01070223; CHEBI:62767; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; 8,8'-Diapo-psi,psi-carotenedioic acid; EINECS 248-708-0; CCRIS 7484; Natural yellow 6; NSC 407300; CI 75100; 8,8'-diapocarotene-8,8'-dioate; 8,8'-diapocarotenedioate; crocetin dianion; α-crocetin |
C20H24O4 |
328.4 |
CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O |
|
TCMBANKIN058759 |
(R)-Lavandulol |
(2R)-2-isopropenyl-5-methylhex-4-en-1-ol; Lavandulol (6CI); 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-; 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI); (-)-Lavandulol; (R)-(-)-Lavandulol; lavandulol (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol; (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol; (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol; 498-16-8; 21090-68-6; (2R)-5-methyl-2-prop-1-en-2-yl-hex-4-en-1-ol; (2R)-2-isopropenyl-5-methyl-hex-4-en-1-ol |
C10H18O |
154.25 |
CC(=CCC(CO)C(=C)C)C |
|
TCMBANKIN058781 |
Toddaculin |
5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin; 4335-12-0; Toddaculine; 5,7-dimethoxy-6-(3-methylbut-2-enyl)-2-chromenone; 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-; toddaculine |
C16H18O4 |
274.31 g/mol |
CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)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 |
|
TCMBANKIN058801 |
Tecomin |
KBio1_000594; NSC 11905; NCGC00094931-01; Spectrum3_000768; Cancer Chemother Rep (part 2) 4: 11 (1974); Spectrum5_001873; Lapachol Wood; NCI60_000457; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)- (9CI); C.I. Natural Yellow 16; InChI=1/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H; BSPBio_002416; SPECTRUM1501204; Bethabarra Wood; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone; SPBio_001341; IDI1_000594; Lapachic acid; Ipe-tobacco Wood; 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione; Tecomin (VAN); NCI60_000587; AIDS-010570; NSC-11905; Taiguic acid; Lapachol; ZINC00056450; Spectrum2_001451; 142905_ALDRICH; WLN: L66 BV EVJ CQ D2UY1&1; KBio3_001636; EINECS 201-563-7; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-; 84-79-7; NSC 629756; C.I. 75490; 4-hydroxy-3-(3-methylbut-2-enyl)-1,2-naphthoquinone; Greenhartin; CCRIS 745; Zlut prirodni 16 [Czech]; 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-; 2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone; NSC11905; C10366; STOCK1N-11398; Oprea1_717083; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione; 4-08-00-02487 (Beilstein Handbook Reference); NCGC00094931-02; Taigu Wood; SDCCGMLS-0066666.P001; DivK1c_000594; NINDS_000594; AIDS010570; Surinam Greenheart Wood; Natural Yellow- 16; BRN 2051889; NSC629756; NCIMech_000076; Greenharten; lapachol |
C15H14O3 |
242.27 g/mol |
CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C |
|
TCMBANKIN058804 |
8-Isopentenyl-kaempferol |
De-O-methylanhydroicaritin; Noranhydroicaritin; CHEMBL192159; MolPort-039-063-533; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone; LMPK12111981; 28610-31-3; desmethylicaritin; AC1NSX3I; AKOS025288161; 8-c-prenylkaempferol; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 4CN-2888; 8-isopentenyl-kaempferol; BG01643044; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromenone; 8-Prenylkaempferol; Desmethyl Icaritin; FT-0666133; DTXSID70415743; 0V5XK67Y0S; UNII-0V5XK67Y0S; 4'-Desmethylicaritin; SCHEMBL4223551; 3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-; Noranhydroicartin; W-202198; ZINC14762765;desmethylicaritin |
C20H18O6 |
354.35 |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C |
|
TCMBANKIN058810 |
alloimperatorin |
9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo(3,2-g)(1)benzopyran-7-one; NSC 301051; DTXSID20214400; AC1Q6A0B; CHEBI:2599; 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; KDXVVZMYSLWJMA-UHFFFAOYSA-N; ZINC898013; 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one; 9-hydroxy-4-(3-methyl-2-butenyl)-; 642-05-7; UNII-3043NX3603; MCULE-9129731017; 9085AF; ST4140654; Alloimperatorin; 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, .delta.-lactone; allo-imperatorin; Prangenidin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-4-(3-methyl-2-butenyl)-; STK691969; AKOS000276831; 3043NX3603; BG00977034; SCHEMBL6272567; MolPort-000-880-983; AC1L2C0Q; 7H-Furo[3, 9-hydroxy-4-(3-methyl-2-butenyl)-; C09053; NSC301051; NSC-301051; alloimperalorin; |
C16H14O4 |
270.28 g/mol |
CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C |
|
TCMBANKIN058844 |
Nerol acetate |
3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate |
C12H20O2 |
196.29 g/mol |
CC(=CCCC(=CCOC(=O)C)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
TCMBANKIN058894 |
santalol |
α-santalol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 4R, 6R)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (2Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1S, 2R, 4R)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol; CHEBI:10441; (Z)-beta-santalol; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-; beta-Santalenol; 37172-31-9; (1S-(1alpha, 2alpha(Z), 4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol; beta-santalol; CHEBI:10441; cis-beta-santalol; Santalol, beta-; 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha, 2alpha(Z), 4alpha))-; UNII-1DGG9VW8SA |
C15H24O |
220.35 g/mol |
CC(=CCCC1(C2CCC(C2)C1=C)C)CO |
|
TCMBANKIN058905 |
phel-lopterin |
CHEMBL452751; CHEBI:80887; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; 4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ZINC1559986; FT-0698105; C17047; 2543-94-4; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; HMS2203M11; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-9-((3-methyl-2-butenyl)oxy)-; 4-Methoxy-9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one; SMR000156210; PHELLOPTERIN(P); 4CN-3199; AK163810; 4-methoxy-9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; cid_98608; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-9-[(3-methyl-2-butenyl)oxy]-; HMS3356N05; MolPort-009-015-193; NCGC00247535-02!4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; 4-METHOXY-9-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; BDBM81058; NSC 152469; SCHEMBL2468854; NSC152469; NCGC00247535-01; MLS000574895; AE-641/05533037; DTXSID30180086; ST24048894; AC1L40AH; Phelloterin; 7H-Furo[3,2-g][1]benzopyran-7-one,4-methoxy-9-[(3-methyl-2-buten-1-yl)oxy]-; MCULE-3441916605; NSC-152469; phellopterin; AC1Q6AY6; BMLZFLQMBMYVHG-UHFFFAOYSA-N; AKOS024465013 |
C17H16O5 |
300.3 g/mol |
CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C |
|
TCMBANKIN058906 |
imperatorin |
HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; 8-isopent-2-enyloxy-6,7-furanocoumarin; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; imperatorin ; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; AIDS071128; MLS000574838; ZINC00001904; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; SpecPlus_000755; Spectrum_000755; KBioGR_001864; KBio2_001235; EINECS 207-581-1; Pentosalen; SPBio_000531; KBio2_006371; SMR000156241; WLN: T C566 DO LVOTJ BO2UY1&1; Spectrum5_000244; KBio2_003803; AI3-61725; Spectrum3_000145; NCGC00095209-02; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; CCRIS 4346; Imperatorin; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; SPECTRUM102076; HSDB 3497; C09269; AIDS-071128; KBio1_001795; 8-Isoamylenoxypsoralen; NSC 402949; NSC402949; MEGxp0_000089; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; KBioSS_001235; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; Oprea1_407817; 482-44-0; Spectrum4_001422; Marmelosin; NCGC00095209-01; SDCCGMLS-0066373.P001; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ST5308976; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; 5-Benzofuranacrylic acid, 6-hydroxy-7-[(3-methyl-2-butenyl)oxy]-, .delta.-lactone; DivK1c_006851; Spectrum2_000376; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; 70102-00-0; BSPBio_001850; HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; Ammidin; imperatorine |
C16H14O4 |
270.28 g/mol |
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
|
TCMBANKIN058907 |
Azeton |
ACETONE; 673781_ALDRICH; Methyl ketone; Propanon; propan-2-one; C00207; W332615_ALDRICH; Pyroacetic acid; 40308_RIEDEL; 67-64-1; EPA Pesticide Chemical Code 004101; propanone; CHEBI:15347; dimethylcetone; ST5214392; HSDB 41; 414689_ALDRICH; Acetone [UN1090] [Flammable liquid]; 323772_ALDRICH; Chevron acetone; 320110_SIAL; c0556; 154598_SIAL; EINECS 200-662-2; Aceton [German, Dutch, Polish]; Dimethylketal; 00561_FLUKA; Dimethylketon; 34850_SIAL; 2-propanone; Acetone (TN); 179973_ALDRICH; Dimethylformaldehyde; dimethylketone; WLN: 1V1; Acetone (NF); ZINC00895111; RCRA waste number U002; 24201_RIEDEL; Aceton; RCRA waste no. U002; 179124_SIAL; 34480_RIEDEL; FEMA No. 3326; UN1090; Pyroacetic ether; Ketone, dimethyl-; 270725_ALDRICH; 534064_ALDRICH; 90872_FLUKA; Ketone, dimethyl; Caswell No. 004; 32201_RIEDEL; D02311; InChI=1/C3H6O/c1-3(2)4/h1-2H; Dimethyl ketone; AI3-01238; NCGC00091179-01; Dimethyl formaldehyde; 40289_RIEDEL; W332607_ALDRICH; Ketone propane; NSC135802; NSC 135802; .beta.-Ketopropane; beta-Ketopropane; 650501_ALDRICH; CCRIS 5953; Acetone (natural); 443638_SIAL; 439126_ALDRICH;acetone |
C3H6O |
58.08 |
CC(=O)C |
|
TCMBANKIN058908 |
Butanedione |
diacetyl; 2,3-Butanedione; biacetyl; 2,3-Butadione; 2,3-diketobutane; dimethylglyoxal; WLN: 1VV1; 4-01-00-03644 (Beilstein Handbook Reference); EU-0100387; Diacetyl (natural); NSC8750; W237035_ALDRICH; 2,3-Butanedione (8CI,9CI); Butanedione; 2,3-butanedione; UN2346; SGCUT00113; InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H; Lopac-D-3634; 11038_FLUKA; CCRIS 827; EINECS 207-069-8; dimethyl diketone; ZINC01532732; 151677-70-2; to_000005; 625-34-3; Butanal, 3-oxo-; FEMA No. 2370; NCGC00015336-01; DIACETYL; Butane-2,3-dione; CHEBI:16583; NSC 8750; Butanedione [UN2346] [Flammable liquid]; LS-116; W237000_ALDRICH; 31530_FLUKA; Lopac0_000387; Butanedione [UN2346] [Flammable liquid]; BRN 0605398; 2,3-dioxobutane; butadione; 431-03-8; C00741; NCGC00090746-01; AI3-03313; 2,3-butandione; HSDB 297; Acetoacetaldehyde; B85307_ALDRICH; Dimethyl glyoxal; Glyoxal, dimethyl- |
CH3COCOCH3 |
86.09 g/mol |
CC(=O)C(=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 |
|
TCMBANKIN058951 |
2-Pentanone,4-hydroxy-4-methyl- |
Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone |
C6H12O2 |
116.16 g/mol |
CC(=O)CC(C)(C)O |
|
TCMBANKIN058968 |
Tereton |
ACETIC ACID,METHYL ESTER; Devoton; FEMA Number 2676; W267619_ALDRICH; Ethyl ester of monoacetic acid; Methylacetat; 79-20-9; Methyl acetic ester; FEMA No. 2676; METHYL ACETATE; EINECS 201-185-2; ZINC01597766; Methylacetat [German]; Metile (acetato di); WLN: 1VO1; acetic acid methyl ester; CCRIS 5846; 45999_FLUKA; Acetate de methyle; Metile (acetato di) [Italian]; Methylacetaat [Dutch]; UN1231; Acetate de methyle [French]; InChI=1/C3H6O2/c1-3(4)5-2/h1-2H; 45997_FLUKA; Methylacetaat; 186325_ALDRICH; NSC 405071; 45998_FLUKA; Methylester kiseliny octove; Methyle (acetate de) [French]; HSDB 95; 296996_ALDRICH; W267600_ALDRICH; Acetic acid, methyl ester; Methyl ethanoate; Methyle (acetate de); Octan metylu; Methyl acetate [UN1231] [Flammable liquid]; NCGC00090940-01; Methyl acetate (natural); Methylester kiseliny octove [Czech]; Octan metylu [Polish]; NSC405071 |
C3H6O2 |
74.08 |
CC(=O)OC |
|
TCMBANKIN058973 |
O-Acetylcolumbianetin;o-acetyl-columbianetin;columbianetin acetate |
2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; acetic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester; acetic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl acetate; ZINC05166472; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl ethanoate; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] acetate;2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-; COLUMBIANETINACETATE; 2-[(8s)-2-oxo-8,9-dihydro-2h-furo[2,3-h]chromen-8-yl]propan-2-yl acetate; BG00998239; (8S)-columbianetin acetate; AC1L4PDJ; 8077AH; AKOS015896724; AK608209; columbianetin acetate ; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate; 180C656; DTXSID90177755; ZINC5166472; CHEBI:132626; O-Acetylcolumbianetin; ACM23180656; Columbianetin acetate; CTK4F1041; I07-0184; MolPort-020-005-952; SCHEMBL12247775; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; AC1Q6BDX; (8S)-O-acetylcolumbianetin; 2-[(8S)-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-8-YL]PROPAN-2-YL ACETATE; 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate; FT-0624032 |
C16H16O5 |
288.29 g/mol |
CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN058982 |
Aceteugenol |
Acetyleugenol; (2-methoxy-4-prop-2-enyl-phenyl) ethanoate; 3-06-00-05029 (Beilstein Handbook Reference); 2-Methoxy-4-(2-propen-1-yl)phenyl acetate; Acetyl eugenol; AI3-01780; acetic acid (4-allyl-2-methoxyphenyl) ester; (2-methoxy-4-prop-2-enylphenyl) acetate; BRN 1964745; InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H; 2-Methoxy-4-(2-propenyl)phenyl acetate; NSC1242; 1-Acetoxy-2-methoxy-4-allylbenzene; aceteugenol; WLN: 1VOR BO1 D2U1; Eugenyl acetate; 93-28-7; Phenol, 4-allyl-2-methoxy-, acetate; 1,3,4-Eugenol acetate; 4-Allyl-2-methoxyphenyl acetate; Phenol, 2-methoxy-4-(2-propenyl)-, acetate; W246905_ALDRICH; NSC 1242; FEMA No. 2469; acetic acid (4-allyl-2-methoxy-phenyl) ester; Eugenol acetate; (4-allyl-2-methoxy-phenyl) acetate; 4-Allyl-2-methoxyphenol acetate; EINECS 202-235-6; C14567 |
C12H14O3 |
206.24 |
CC(=O)OC1=C(C=C(C=C1)CC=C)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 |
|
TCMBANKIN059066 |
L-Milchsaeure |
L-Lactic acid; CHEBI:422; L6402_SIGMA; Propanoic acid, 2-hydroxy-, (S)-, homopolymer; nchembio867-comp9; 26811-96-1; 79-33-4; (S)-()-Lactic acid; L-()-Lactic acid; 46937_SUPELCO; (2S)-2-hydroxypropanoic acid; C00186; InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6; 27715_RIEDEL; (2S)-2-Hydroxypropanoic acid homopolymer; L1750_SIGMA; 199257_ALDRICH; 69771_FLUKA |
C3H6O3 |
90.08 |
CC(C(=O)O)O |
|
TCMBANKIN059070 |
BU3 |
237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- |
C4H10O2 |
90.12 |
CC(C(C)O)O |
|
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 |
|
TCMBANKIN059090 |
tert-Butylurea |
FR-2318; N-tert-Butylurea; 1118-12-3; (1,1-Dimethylethyl)urea; BRN 1744501; 4-04-00-00665 (Beilstein Handbook Reference); NSC4604; Urea, tert-butyl-; 19939_FLUKA; EINECS 214-257-3; SBB008606; NSC 4604; Urea, (1,1-dimethylethyl)-; ZINC00397497 |
C5H12N2O |
116.16 |
CC(C)(C)NC(=O)N |
|
TCMBANKIN059092 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol; yomogi alcohol a |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
TCMBANKIN059095 |
2-methyl-3-buten-2-ol |
alpha,alpha-Dimethylallyl alcohol; 2-methylbut-3-ene-2-ol; 3-Hydroxy-3-methylbutene; TRA0020327; Methylbutenol; DTXSID3047471; 2-METHYL-3-BUTEN-2-OL; 1,1-Dimethyl-2-propen-1-ol; CAS-115-18-4; CTK0H5270; CHEBI:132752; .alpha.,.alpha.-Dimethylallyl alcohol; ACMC-1C7AH; 1,1-Dimethyl-2-propenyl alcoho; 3-Hydroxy-3-methyl-1-butene; isoprenyl alcohol; NCGC00357265-01; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); RTR-034118; 2-Methyl-3-buten-2-ol, analytical standard; 3-methylbut-1-en-3-ol; AN-22741; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 1-dimethyl-2-propenol; UNII-SH64HE46L9; Dimethylvinylmethanol; NSC15977; 1,1-dimethyl-2-propenyl alcohol; STOCK1N-73566; 2-vinyl-2-propanol; 1,1-Dimethylallyl alchol; 3-Methyl-1-butene-3-ol; MCULE-5809739830; 3-Methyl-buten-(1)-ol-(3) [German]; 2-Methyl-3-butene-2-ol; 2-hydroxy-2-methyl-3-butene; methyl-3-buten-2-ol, 2-; 2-methyl-but-3-en-2-ol; 3-methyl-but-1-en-3-ol; NSC-15977; 115-18-4; KSC175E7B; AC1Q718W; KB-68998; Jsp001113; AKOS009156785; SH64HE46L9; 1,1-Dimethyl-2-propanol; AC1L1QLP; 1, 1-Dimethyl-2-propenol; C5H10O; BRN 1698263; CJ-29489; ZINC1733761; 2-Methyl-3-buten-2-ol, 98%; 2-Methyl-2-hydroxy-3-butene; EINECS 204-068-4; I14-17405; LS-47240; 3-hydroxy-3-methylbut-1-ene; NSC 15977; 3-methyl-3-hydroxybut-1-ene; 3-Buten-2-ol, 2-methyl-; EC 204-068-4; Dimethylvinylcarbinol; dimethyl vinyl carbinol; FT-0612937; DSSTox_GSID_47471; C21402; Tox21_303823; 2-Methyl-3-buten-2-ol, >=98%; 1-dimethylallyl alcohol; MolPort-001-792-058; 3-methyl-buten-3-ol; 7316AF; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 2-Methyl but-3-ene-2-ol; 1-Buten-3-ol, 3-methyl-; 2-Methyl-3-buten-2-yl alcohol; M0178; 3-Methyl-1-buten-3-ol; TR-034118; HNVRRHSXBLFLIG-UHFFFAOYSA-N; 1,1-Dimethyl-2-propenol; DSSTox_CID_27471; Vinyldimethylcarbinol; CH2=CHC(CH3)2OH; ANW-16850; KS-00000UWF; DB-060705; MFCD00004470; 2-Methylbut-3-en-2-ol; 3-Methyl-buten-(1)-ol-(3); AC1Q1NNW; 1, 1-Dimethylallyl alcohol1,1-Dimethylallyl alchol; alpha,alpha-Dimethylallyl alcohol; 2-Methyl-3-buten-2-ol; 3-Hydroxy-3-methylbutene; EINECS 204-068-4; 66090_FLUKA; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 3-Methyl-buten-(1)-ol-(3) [German]; .alpha.,.alpha.-Dimethylallyl alcohol; 1-Buten-3-ol, 3-methyl-; 115-18-4; 2-Methyl-3-buten-2-yl alcohol; 3-Methyl-1-buten-3-ol; W503908_ALDRICH; 3-Hydroxy-3-methyl-1-butene; NSC 15977; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); 3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propanol; Vinyldimethylcarbinol; ZINC01733761; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 2-Methylbut-3-en-2-ol; BRN 1698263; Dimethylvinylcarbinol; Dimethylvinylmethanol; 136816_ALDRICH; 1,1-Dimethyl-2-propenol; NSC15977; 2-Methyl-2-hydroxy-3-butene |
C5H10O |
86.13 g/mol |
CC(C)(C=C)O |
|
TCMBANKIN059099 |
Marmesine;nodakenetin |
(2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (S); C09278; (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; STOCK1N-61085; AIDS071123; ZINC00051923; 495-32-9; marmesine; NSC 340840; AIDS-071123; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-; CCRIS 5728; 1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-; (S)-Marmesin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-; (-)-Marmesin; Nodakenitin; 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R); (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; Nodakenetin;ST4038313; FWYSBEAFFPBAQU-UHFFFAOYSA-N; ( inverted exclamation markA)-Marmesin; MCULE-3188434807; BAS 00015462; 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one; 2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Marmesin; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; SCHEMBL546574; 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Oprea1_172287; AC1LCPS5; AKOS022062475; HMS1672K17; MolPort-001-913-428; 2'-(1''-Hydroxy-1''-methylethyl)-psoralen; STK396315; A1784/0075601; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #; 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one; 13710-70-8; InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (S)-Marmesin; CHEBI:49080; Oprea1_468691; 7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one; Q-100147; ST097606; AKOS000546749; 2-(1-hydroxy-isopropyl)-2,3-dihydrofurano[3,2-g]chromen-7-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O |
|
TCMBANKIN059114 |
PAU |
b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]- (9CI); 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid; PANTOTHENOIC ACID; BRN 1727064; (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine; N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-; Pantothenic acid, D- (8CI); Chick antidermatitis factor; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid; beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-; Pantothenic acid, D-; 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid; 4-04-00-02569 (Beilstein Handbook Reference); beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI); CHEBI:46905; EINECS 201-229-0; (D)-(+)-Pantothenic acid; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid; HSDB 1020; Kyselina pantothenova [Czech]; C00864; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; (R)-pantothenic acid; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid; 10-20-8; N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE; (R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine; 3563-85-7; (+)-Pantothenic acid;pantothenic acid |
C9H17NO5 |
219.24 |
CC(C)(CO)C(C(=O)NCCC(=O)O)O |
|
TCMBANKIN059130 |
Isomeranzin |
AIDS-080545; 7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one; 7-methoxy-8-(3-methyl-2-oxo-butyl)chromen-2-one; isomeranzin; Isomeramazin; 2H-1-Benzopyran-2-one, 7-methoxy, 8-(2-oxoisopentyl); AIDS080545; 7-methoxy-8-(3-methyl-2-oxobutyl)-2-chromenone; 7-Methoxy-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one; 8-(2-keto-3-methyl-butyl)-7-methoxy-coumarin;isomeranzine |
C15H16O4 |
260.29 |
CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC |
|
TCMBANKIN059139 |
(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(1R,8R)-pyrrolizidin-1-yl]methyl ester |
(2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl ester; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; 487-99-0; [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(2S*,3R*),7abeta))- |
C15H27NO4 |
285.38 |
CC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O |
|
TCMBANKIN059158 |
Dasycarpamin |
dasycarpamin; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]carbostyril; 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one;dasycarpamine |
C17H21NO4 |
303.35 |
CC(C)C=CC1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC |
|
TCMBANKIN059169 |
neocryptotanshinone ii |
1-hydroxy-2,8,8-trimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AC1NSZ0S;deoxyneocryptotanshinone |
C19H22O3 |
298.4 g/mol |
CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O |
|
TCMBANKIN059170 |
alpha-elemene |
α- elemene; α--elemene; α-Elemene; α-elemene;(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene; (S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; 5951-67-7; (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene; (6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene;(6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinylcyclohexene |
C15H24 |
204.35 g/mol |
CC(C)C1=CC(=C(C)C)CCC1(C)C=C |
|
TCMBANKIN059175 |
delta-elemene |
delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene |
C15H24 |
204.35 |
CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C |
|
TCMBANKIN059185 |
(1R,3aS,8aR)-7-isopropyl-1-methyl-4-methylene-2,3,3a,5,6,8a-hexahydroazulen-1-ol |
lactifloreol; (1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol; alismol |
C15H24O |
220.35 g/mol |
CC(C)C1=CC2C(CCC2(C)O)C(=C)CC1 |
|
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 |
|
TCMBANKIN059190 |
β-terpineol |
beta-terpineol; β- terpineol; Z-beta-terpineol; β-Terpineol; cis-beta-Terpineol; cis-belta-Terpineol; 1-Terpineol;1-terpineol |
C10H18O |
154.25 |
CC(C)C1=CCC(CC1)(C)O |
|
TCMBANKIN059195 |
(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane |
(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane |
C10H16 |
136.23 g/mol |
CC(C)C12CCC(=C)C1C2 |
|
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 |
|
TCMBANKIN059207 |
Epishyobunone |
epishyobunone; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone
(2S,3S,6S)-3-ETHENYL-6-ISOPROPYL-3-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; MolPort-035-706-214; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (+)-Shyobunone; CHEMBL1814552; BG00930849; W2226; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone; AKOS032962114; SHYOBUNONE; CHEBI:68148; 21698-44-2; shyobunone; AC1NT0E3; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; ZINC15150042;Shyobunone |
C15H24O |
220.35 |
CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C |
|
TCMBANKIN059208 |
trans-p-2-Menthen-1-ol |
(1S,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; trans-p-2-menthen-1-ol; (1S,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1S,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol;2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-; (1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; EINECS 249-859-5; trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; 29803-81-4; (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 117064-02-5;trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN059217 |
beta-Bourbonene |
(-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene |
C15H24 |
204.35 |
CC(C)C1CCC2(C1C3C2CCC3=C)C |
|
TCMBANKIN059230 |
isovalericacid |
LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid |
C5H10O2 |
102.13 g/mol |
CC(C)CC(=O)O |
|
TCMBANKIN059252 |
3,7, 11, 15-tetramethyl- 2- hexadecen- 1- ol |
phytol; phytol or 2-hexadecen-1-ol,3,7,11,15-tetramethyl-; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-tetramethyl-2-hexadecen-1-ol; 7541-49-3; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*-(E)))- (9CI); (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; CHEBI:17327; (2E)(7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-; (E)-Phytol; BRN 1726098; 5016-81-9; LMPR01040057; EINECS 205-776-6; 4-01-00-02208 (Beilstein Handbook Reference); AI3-24344; AIDS058679; (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol; C01389; 3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL; (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol; trans-Phytol; 150-86-7; 3,7,11,15-Tetramethylhexadec-2-en-1-ol; 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (theta-(theta,theta-(E)))-; AIDS-058679; Phytol |
C20H40O |
296.5 g/mol |
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C |
|
TCMBANKIN059272 |
diisobutyl phthalate |
di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC |
C16H22O4- C6H4[CO2CH2CH(CH3)2]2 |
278.34 g/mol |
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
|
TCMBANKIN059364 |
Lilac alcohol A |
lilac alcohol |
C10H18O2 |
170.25 g/mol |
CC(CO)C1CCC(O1)(C)C=C |
|
TCMBANKIN059383 |
Praeruptorin A |
praeruptorin A; dl-praeruptorin A; Pd-Ia; AC1NSZRS; praeruptorin a; [9-[(Z)-but-2-enyl]-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate; praeruptorin A; dl-praeruptorin a; (+-)praeruptorin a; (-)-3'-(s)-acetyloxy-4'-(s)-angeloyloxy-3',4'-dihydroseselin; isopteryxin; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; 3'-angeloyloxy-4'-acetoxy-3',4'-dihydroseselin ; Pd-Ia; isopteryxin |
C21H22O7 |
386.4 g/mol |
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C |
|
TCMBANKIN059402 |
Sitosterol alpha1 |
|
C30H50O |
426.72 |
CC=C(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C |
|
TCMBANKIN059409 |
mollislactone |
|
C15H20O2 |
232.32 |
CC=C1C2=CCCC=C(CCCC2OC1=O)C |
|
TCMBANKIN059426 |
(E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one |
|
C13H18O |
190.28 g/mol |
CC=CC(=O)C1=C(C=CCC1(C)C)C |
|
TCMBANKIN059427 |
beta-damascone |
|
C13H20O |
192.3 g/mol |
CC=CC(=O)C1=C(CCCC1(C)C)C |
|
TCMBANKIN059441 |
beta-asarone |
|
C12H16O3 |
208.25 g/mol |
CC=CC1=CC(=C(C=C1OC)OC)OC |
|
TCMBANKIN059458 |
jatamansinol;Lomatin |
|
C14H14O4 |
246.26 g/mol |
CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C |
|
TCMBANKIN059459 |
Rutalinidine |
|
C15H17NO4 |
275.3 g/mol |
CC1(C(CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O)C |
|
TCMBANKIN059486 |
xanthoxyletin |
|
C15H14O4 |
258.27 g/mol |
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
|
TCMBANKIN059502 |
1H-Cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4aalpha,7beta,7abeta,7balpha))- |
|
C15H24O |
220.35 |
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C |
|
TCMBANKIN059512 |
(-)- myrtenol |
|
C10H16O |
152.23 g/mol |
CC1(C2CC=C(C1C2)CO)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 |
|
TCMBANKIN059524 |
(1S,4R)-fenchone |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC(C2)(C1=O)C)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 |
|
TCMBANKIN059532 |
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC1(C(=O)C2)C)C |
|
TCMBANKIN059536 |
α-fenchene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC1C(=C)C2)C |
|
TCMBANKIN059557 |
triacetonamine |
|
C9H17NO |
155.24 g/mol |
CC1(CC(=O)CC(N1)(C)C)C |
|
TCMBANKIN059571 |
ZINC05224268 |
|
C15H24 |
204.35 |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
|
TCMBANKIN059640 |
methyl 6-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5-carboxylate |
|
C17H18O4 |
286.32 g/mol |
CC1(CCC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C |
|
TCMBANKIN059653 |
(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one |
|
C11H16O2 |
180.24 |
CC1(CCCC2(C1=CC(=O)O2)C)C |
|
TCMBANKIN059662 |
galanal a |
|
C20H30O3 |
318.4 g/mol |
CC1(CCCC2(C1CCC3(C2CC=C(CC3O)C=O)C=O)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 |
|
TCMBANKIN059769 |
9beta-hydroxyfraxinellone;6beta-hydroxyfraxinellone;dasycarpol |
|
C14H16O4 |
248.27 g/mol |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
TCMBANKIN059806 |
11β,13-dihydrolactucin |
|
C15H16O5 |
276.28 |
CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
|
TCMBANKIN059810 |
delta-selinene |
|
C15H24 |
204.35 g/mol |
CC1=C2C=C(CCC2(CCC1)C)C(C)C |
|
TCMBANKIN059819 |
atractylenolide i |
|
C15H18O2 |
230.3 |
CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C |
|
TCMBANKIN059820 |
atractylenolide iii; codonolactone |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C |
|
TCMBANKIN059821 |
atractylenolideII |
|
C15H20O2 |
232.32 |
CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C |
|
TCMBANKIN059826 |
stemonamine |
|
C18H23NO4 |
317.4 g/mol |
CC1=C2CCCCN3C2(CCC3)C4(C1=O)C(=C(C(=O)O4)C)OC |
|
TCMBANKIN059831 |
Methyl atratate |
|
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN059835 |
pogostone |
|
C12H16O4 |
224.25 g/mol |
CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O |
|
TCMBANKIN059838 |
Acetylthymol |
|
C12H16O2 |
192.25 g/mol |
CC1=CC(=C(C=C1)C(C)C)OC(=O)C |
|
TCMBANKIN059848 |
3-Methylene-1,5,5-trimethylcyclohexene |
|
C10H16 |
136.23 g/mol |
CC1=CC(=C)CC(C1)(C)C |
|
TCMBANKIN059873 |
Khell |
|
C14H12O5 |
260.24 |
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
|
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
|
TCMBANKIN059907 |
(+)-alpha-Curcumene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C(C)CCC=C(C)C |
|
TCMBANKIN059911 |
cuparene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C2(CCCC2(C)C)C |
|
TCMBANKIN059916 |
2,6,6-trimethyl-2,4-cycloheptadien-1-one |
|
C10H14O |
150.22 |
CC1=CC=CC(CC1=O)(C)C |
|
TCMBANKIN059932 |
chrysophanol |
|
C15H10O4 |
254.24 |
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O |
|
TCMBANKIN059944 |
.alpha.-Ionene |
|
C13H18 |
174.28 |
CC1=CC2=C(C=C1)C(CCC2)(C)C |
|
TCMBANKIN059949 |
Lacinilene-C-7-methyl ether |
|
C16H20O3 |
260.33 |
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O |
|
TCMBANKIN059952 |
Phlegmariuine-N |
|
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN059954 |
Girinimbine |
|
C18H17NO |
263.33 |
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42 |
|
TCMBANKIN059956 |
himachalene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
|
TCMBANKIN059959 |
.alpha.-Carene |
|
C10H16 |
136.23 |
CC1=CC2C(C2(C)C)CC1 |
|
TCMBANKIN059960 |
(-)-g-cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=C)CCC2C(C)C |
|
TCMBANKIN059962 |
cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene |
|
C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=CCC2C(C)C)C |
|
TCMBANKIN059963 |
naphthalene,1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,(1S-cis)-;Naphthalene, 1, 2, 3, 5, 6, 8a-hexahydro-4, 7-dimethyl-1-(1-methylethyl)-,(1S-cis);δ-cadinol |
|
C15H24;C10H18 |
204.35 g/mol |
CC1=CC2C(CCC(=C2CC1)C)C(C)C |
|
TCMBANKIN059964 |
α-cadinol |
|
C15H26O |
222.37g/mol |
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C |
|
TCMBANKIN059967 |
germacrone |
|
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
|
TCMBANKIN059970 |
1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(=CC1)C(C)C |
|
TCMBANKIN059975 |
β-humulene |
|
C15H24 |
204.35 |
CC1=CCC(C=CCC(=C)CCC1)(C)C |
|
TCMBANKIN059982 |
d-limonene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(CC1)C(=C)C |
|
TCMBANKIN059983 |
β-bisabolene |
|
C15H24 |
204.35 g/mol |
CC1=CCC(CC1)C(=C)CCC=C(C)C |
|
TCMBANKIN059985 |
alpha-terpinol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)C(C)(C)O |
|
TCMBANKIN059994 |
(+)-trans-Carveol |
|
C10H16O |
152.23 g/mol |
CC1=CCC(CC1O)C(=C)C |
|
TCMBANKIN059995 |
l-Carvyl acetate |
|
C12H18O2 |
194.27 |
CC1=CCC(CC1OC(=O)C)C(=C)C |
|
TCMBANKIN059999 |
beta-Chamigrene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CC1)C(=C)CCCC2(C)C |
|
TCMBANKIN060000 |
carotol |
|
C15H26O |
222.37 |
CC1=CCC2(CCC(C2(CC1)O)C(C)C)C |
|
TCMBANKIN060004 |
cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
|
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
|
TCMBANKIN060013 |
9(10)z,α-trans-bergamotenol |
|
C15H24O |
220.35 g/mol |
CC1=CCC2CC1C2(C)CCC=C(C)CO |
|
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
|
TCMBANKIN060018 |
Costunolide |
|
C15H20O2 |
232.32 g/mol |
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
TCMBANKIN060019 |
Germacrene B |
|
C15H24 |
204.35 |
CC1=CCCC(=CCC(=C(C)C)CC1)C |
|
TCMBANKIN060032 |
alpha-Eudesmol |
|
C15H26O |
222.37 |
CC1=CCCC2(C1CC(CC2)C(C)(C)O)C |
|
TCMBANKIN060036 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN060047 |
Dehydrotanshinone II A |
|
C19H16O3 |
292.33 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
|
TCMBANKIN060054 |
isogermafurene |
|
C15H20O |
216.32 |
CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C |
|
TCMBANKIN060058 |
vitamin b6 |
|
C8H11NO3 |
169.18 g/mol |
CC1=NC=C(C(=C1O)CO)CO |
|
TCMBANKIN060060 |
harmine |
|
C13H12N2O |
212.25 |
CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC |
|
TCMBANKIN060069 |
paeoniflorgenone;Paeoniflorigenone |
|
C17H18O6 |
318.32 |
CC12CC(=O)C3CC1(OC(C3COC(=O)C4=CC=CC=C4)O2)O |
|
TCMBANKIN060086 |
gibberellin a 60;GA60 |
|
C19H24O6 |
348.39 |
CC12CCC(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
|
TCMBANKIN060108 |
Naphthol[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,[3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta)] |
|
C15H20O3 |
248.32 g/mol |
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C |
|
TCMBANKIN060114 |
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid |
|
C15H22O2 |
234.33 |
CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O |
|
TCMBANKIN060117 |
iso-alantolactone |
|
C15H20O2 |
232.32 |
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
|
TCMBANKIN060301 |
Bicyclo(3.2.1)oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1R-(6-endo,7-exo))- |
|
C20H22O5 |
342.39 |
CC1C(C2C(=O)C(=CC1(C2=O)OC)CC=C)C3=CC(=C(C=C3)O)OC |
|
TCMBANKIN060324 |
(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydrobenzofuran-5-carbaldehyde |
|
C19H20O5 |
328.36 |
CC1C(OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060327 |
vellerdiol |
|
C15H24O2 |
236.35 g/mol |
CC1C=C(C(=CC2C1CC(C2)(C)C)CO)CO |
|
TCMBANKIN060332 |
thujene |
|
C10H16 |
136.23 g/mol |
CC1C=CC2(C1C2)C(C)C |
|
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
|
TCMBANKIN060372 |
dl-Thujone |
|
C10H16O |
152.23 |
CC1C2CC2(CC1=O)C(C)C |
|
TCMBANKIN060373 |
thujylalcohol |
|
C10H18O |
154.25 g/mol |
CC1C2CC2(CC1O)C(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 |
|
TCMBANKIN060424 |
(?)-gomisin l1 |
|
C22H26O6 |
386.44 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3 |
|
TCMBANKIN060433 |
gmelofuran;gmeloiuran |
|
C15H18O3 |
246.3 g/mol |
CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C |
|
TCMBANKIN060440 |
pulegone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN060441 |
3-methyl-6-(1-methylethyl-idene)-cyclohexene |
|
C10H16 |
136.23g/mol |
CC1CCC(=C(C)C)C=C1 |
|
TCMBANKIN060450 |
d-menthone |
|
C10H18O |
154.25 g/mol |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN060452 |
()-Neomenthol;(1R,2R,5S)-2-Isopropyl-5-methylcyclohexanol |
|
C10H20O |
156.27 |
CC1CCC(C(C1)O)C(C)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 |
|
TCMBANKIN060462 |
(1S,2R,4R)-Neoiso-dihydrocarveol |
|
C10H18O |
154.25g/mol |
CC1CCC(CC1O)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 |
|
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060568 |
gamma-patchoulene |
|
C15H24 |
204.35 g/mol |
CC1CCC23C1CC(C2(C)C)CCC3=C |
|
TCMBANKIN060569 |
patchoulane |
|
C15H26 |
206.37 |
CC1CCC23C1CC(C2(C)C)CCC3C |
|
TCMBANKIN060573 |
deoxyartemisinin |
|
C15H22O4 |
266.33; 0 |
CC1CCC2C(C(=O)OC3C24C1CCC(O3)(O4)C)C |
|
TCMBANKIN060575 |
alpha-gurjunene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C(C2(C)C)C3=C(CCC13)C |
|
TCMBANKIN060585 |
α-funebrene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C13CC=C(C(C3)C2(C)C)C |
|
TCMBANKIN060586 |
Cedren-13-ol, 8-;cedr-8-en-13-ol |
|
C15H24O |
220.35 |
CC1CCC2C13CC=C(C(C3)C2(C)CO)C |
|
TCMBANKIN060587 |
Epicedrol |
|
C15H26O |
222.37 g/mol |
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
|
TCMBANKIN060589 |
Dihydronepetalactone |
|
C10H16O2 |
168.23 g/mol |
CC1CCC2C1C(=O)OCC2C |
|
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 |
|
TCMBANKIN060603 |
1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one |
|
C15H22O |
218.37 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN060616 |
dihydrotanshinoneⅠ |
|
C18H14O3 |
45.043279 |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C |
|
TCMBANKIN060617 |
1,2,5,6-tetrahydrotanshinone |
|
C18H16O3 |
280.3 g/mol |
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
|
TCMBANKIN060637 |
D-2-Aminobutyrate |
|
C4H9NO2 |
103.12g/mol |
CCC(C(=O)O)N |
|
TCMBANKIN060649 |
Allo-L-isoleucine |
|
C6H13NO2 |
131.17 g/mol |
CCC(C)C(C(=O)O)N |
|
TCMBANKIN060673 |
senkyunolide f;senkyunolide-F |
|
C12H14O3 |
206.24 g/mol |
CCC(C=C1C2=C(C=CCC2)C(=O)O1)O |
|
TCMBANKIN060713 |
Methyl jasmonate |
|
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN060752 |
stenine |
|
C17H27NO2 |
277.4 g/mol |
CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C |
|
TCMBANKIN060766 |
2-Methylheptan-4-one |
|
C8H16O |
128.21 g/mol |
CCCC(=O)CC(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 |
|
TCMBANKIN060778 |
3-hexanol;ZINC02013201 |
|
C6H14O |
102.17 g/mol |
CCCC(CC)O |
|
TCMBANKIN060780 |
7-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 |
|
TCMBANKIN060783 |
(z)-5-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1 |
|
TCMBANKIN060784 |
trans-ligustilide;Ligustilide |
|
C12H14O2 |
190.24 g/mol |
CCCC=C1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060786 |
BdPh |
|
C12H12O2 |
188.22 g/mol |
CCCC=C1C2=CC=CC=C2C(=O)O1 |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN060831 |
senkyunolide |
|
C12H16O2 |
192.25 g/mol |
CCCCC1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060834 |
neocnidilide |
|
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN060868 |
trans-2,4-decadienal |
|
C10H16O |
152.23 g/mol |
CCCCCC=CC=CC=O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060895 |
γ-nonalactone |
|
C9H16O2 |
156.22 g/mol |
CCCCCC1CCC(=O)O1 |
|
TCMBANKIN060905 |
Ricineic acid |
|
C18H32O2 |
280.45 |
CCCCCCC=CC=CCCCCCCCC(=O)O |
|
TCMBANKIN060910 |
cis-9-hexadecenoic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060941 |
γ-undecalactone |
|
|
|
CCCCCCCC1CCC(=O)O1 |
|
TCMBANKIN060966 |
gondoic acid |
|
C20H38O2 |
310.5 g/mol |
CCCCCCCCC=CCCCCCCCCCC(=O)O |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061215 |
n-butyl-β-D-fructopyranoside |
|
C10H20O6 |
237.27 g/mol |
CCCCOC1(C(C(C(CO1)O)O)O)CO |
|
TCMBANKIN061244 |
OXA |
|
C2H6O |
46.07 |
CCO |
|
TCMBANKIN061259 |
DEP |
|
C6H4(COOC2H5)2 |
222.24 g/mol |
CCOC(=O)C1=CC=CC=C1C(=O)OCC |
|
TCMBANKIN061262 |
7-Methoxy-8-(2'-ethoxy-3'-hydroxy-3'-methybutyl)coumarin |
|
C17H22O5 |
306.39 |
CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O |
|
TCMBANKIN061263 |
Isopropyl ethyl ether |
|
C5H12O |
88.15 |
CCOC(C)C |
|
TCMBANKIN061269 |
2,2,2-triethoxyethanol |
|
C8H18O4 |
178.23 g/mol |
CCOC(CO)(OCC)OCC |
|
TCMBANKIN061271 |
EA-fructofuranoside |
|
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061275 |
Ethyl glucoside |
|
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN061285 |
N,N-Dimethyl-L-phenylalanine |
|
C11H15NO2 |
193.24 |
CN(C)C(CC1=CC=CC=C1)C(=O)O |
|
TCMBANKIN061288 |
donasine |
|
C11H14N2 |
174.24 g/mol |
CN(C)CC1=CNC2=CC=CC=C21 |
|
TCMBANKIN061290 |
MeODMT;n,n-dimethyl-5-methoxy tryptamine |
|
C13H18N2O |
218.29 |
CN(C)CCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN061291 |
creatine |
|
C4H9N3O2 |
131.13 g/mol |
CN(CC(=O)O)C(=N)N |
|
TCMBANKIN061299 |
atroscine |
|
C17H21NO4 |
303.35 |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
|
TCMBANKIN061302 |
Atropin;atropine |
|
C17H23NO3 |
289.4 g/mol |
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
|
TCMBANKIN061305 |
penniclavine |
|
C16H18N2O2 |
270.33 g/mol |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)(CO)O |
|
TCMBANKIN061314 |
arecoline |
|
C8H13NO2 |
155.19 |
CN1CCC=C(C1)C(=O)OC |
|
TCMBANKIN061321 |
n-methyl-corypalline |
|
C12H17NO2 |
207.27 g/mol |
CN1CCC2=CC(=C(C=C2C1)OC)OC |
|
TCMBANKIN061340 |
n-methylasimilobine |
1-Methoxy-6a-beta-Aporphin-2-ol; 16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol; (-)-N-Methylasimilobine; N-Methyl-Asimilobine; 16-METHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2,4,6,13,15-HEXAEN-15-OL; AKOS032949134; Floribundine; 2-hydroxy-1-methoxyaporphine; floribundine |
C18H19NO2 |
281.35 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)O |
|
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 |
|
TCMBANKIN061365 |
Sinoacutine |
(-)-salutaridine; C05179; sinoacutine; (-)-Sinoacutine; 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one; 4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; SCHEMBL563455; 1369-69-3; (+-)-SALUTARIDINE; 7X10PRH74D; Salutaridine; 1936-18-1; 1005309-77-2; BDBM50378615; Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-; GVTRUVGBZQJVTF-YJYMSZOUSA-N; (+)-salutaridine; CHEBI:17225; 716342-86-8; CHEMBL404097; HSDB 8325; Sinoacutin; UNII-7X10PRH74D; 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; 17039-45-1; Floripavine |
C19H21NO4 |
327.37 |
CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
|
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 |
|
TCMBANKIN061372 |
1,3-bis[(2R)-1-methylpyrrolidin-2-yl]acetone |
CHEBI:27920; 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one; 1,3-bis[(2R)-1-methyl-2-pyrrolidinyl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]acetone; Cuscohygrine |
C13H24N2O |
224.34 |
CN1CCCC1CC(=O)CC2CCCN2C |
|
TCMBANKIN061375 |
Abrine |
NCGC00142581-01; N-methyl-L-tryptophan; 69555_FLUKA; (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid; N-Metil-L-triptofano; A829179; L-2-Methyltryptophan; 3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propanoic acid; L-Abrine; N(alpha)-methyl-L-tryptophan; EINECS 208-388-5; SBB012419; 434248_ALDRICH; CHEBI:15334; abrine; Nalpha-Methyl-L-tryptophan; (2S)-3-(1H-indol-3-yl)-2-methylaminopropanoic acid; N-Methyl-L-tryptophane; C02983; 526-31-8; 3-(1H-indol-3-yl)-2-(methylammonio)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propionic acid; abrin |
C12H14N2O2 |
218.25 |
CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
|
TCMBANKIN061377 |
Goshuyuamide I |
AC1NSW2R; (2-methylaminophenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; [2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; (2-methylaminophenyl)-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)methanone; goshuyuamide i |
C19H19N3O |
305.41 |
CNC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34 |
|
TCMBANKIN061381 |
colchamine |
MolPort-002-507-437; AK326020; CAS-477-30-5; BRN 2822892; Demecolcine; N-Desacetyl-N-methylcolchicine; LS-7285; CHEBI:4393; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-5,6,7-trihydrobenzo[a]heptalen-9-on e; V0182; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i; Colcemid™ EUO masculine; AC1L58QT; CCRIS 2764; CC-26333; SMR000058249; ACM477305; 477D305; Colcemid, N-methyl-N-deacetyl-colchicine; (-)-Colchamine; 6,2,3,10-tetramethoxy-7-(methylamino)-benzo[.alpha.]heptalen-9(5H)-one; CTK5B3083; Colchicine, N-deacetyl-N-methyl-; HMS2230L17; DTXSID7020342; MLS002695919; (S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; NSC-3096; Substance F; Kolchamin; DSSTox_RID_75525; Colcemide; CHEMBL312862; N-Deacetyl-N-methylcolchicine solution; MFCD00075459; Reichstein's F; Desacetylmethylcolchicine; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine); Kolchicin; 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one; MCULE-5448914877; Kolkamin; Colchicine, 7-deacetamido-7-(methylamino)-; Methylcolchicine; Demecolcine [INN:BAN:DCF]; DSSTox_CID_342; cid_220401; NSC 3096; Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NSC3096; MLS001332502; (-)-Demecolcine; Deacetyl-N-methylcolchicine; X 153; Colchamine; Desmecolcine; NCGC00166035-02; Demecolcine, >=98% (HPLC); FT-0603112; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; KS-5002; C21H25NO5; UNII-Z01IVE25KI; Colchicine, deacetyl-N-methyl-; Omaine; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(a)heptalen-9(5H)-one; Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; NNJPGOLRFBJNIW-HNNXBMFYSA-N; NSC-403147; Colchine, N-deacetyl-N-methyl; C-12669; NCGC00166035-01; Demecolcine solution, 10 mug/mL in HBSS, ACF Qualified, BioXtra; Demecolcina [INN-Spanish]; EINECS 207-514-6; N-Methyl-N-deacetylcolchicine; SR-01000841244; NSC403147; BG00711418; colcemid; Demicolcine; (7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; BDBM50014872; Alkaloid H 3, from colchicum antumnale; Tox21_112296; API0002097; SCHEMBL8161; (S)-6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)benzo[a]heptalen-9(5H)-one; A827317; 477-30-5; WLN: L B677 MV&T&J CO1 DO1 EO1 JM1 NO1; C-21160; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-; N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i EUO masculine; Desmecolchine; Alkaloid H 3; DSSTox_GSID_20342; Colchamin; BRD-K38624570-001-10-7; Santavy's substance F; Demecolcinum [INN-Latin]; SR-01000841244-3; Demecolcinum; Omain; Demecolcina; MLS001332501; Kolchicin [Czech]; 6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methylamino) Benzo (alpha) Heptalen-9(5H)-one; BCBcMAP01_000022; Deacetylmethylcolchicine; Ciba 12669A; Ciba 12669 A; Isoquinoline,3,4-dihydro-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-; AKOS002141248; Demecolcine, Hybri-Max(TM), powder, gamma-irradiated, hybridoma tested; 1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one #; Z01IVE25KI; (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one; AC1Q698C; Demecolcin; 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one; ZINC3872132; AB0019718; (S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; ST057181; BB_NC-1469; N-Deacetyl-N-methylcolchicine; SMP1_000076; Demecolcine, >=98.0% (sum of enantiomers, HPLC); N-Methyl-N-desacetylcolchicine; N-Desacetylmethylcolchicine |
C21H25NO5 |
371.4 g/mol |
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
|
TCMBANKIN061388 |
methylether |
Methoxymethane; CHEBI:28887; Methane, oxybis-; EINECS 204-065-8; Methyl ether; Oxybismethane; (CH3)2O; HSDB 354; Dimethyl ether [UN1033] [Flammable gas]; c0147; C11144; InChI=1/C2H6O/c1-3-2/h1-2H; Wood ether; Dimehtylether; Dimethyl oxide; 115-10-6; Demeon D; 157621-61-9; Methyl oxide; Dimethyl ether; UN1033; 295299_ALDRICH; Ether, methyl; Ether, dimethyl; CH3-O-CH3;Dymel A |
C2H6O |
46.07 g/mol |
COC |
|
TCMBANKIN061416 |
1-methoxycarbonyl-beta-carboline |
Carboline-1-carboxylic acid, methyl ester; Methyl 9H-pyrido(3,4-b)indole-1-carboxylate; methyl 9H-pyrido[3,4-b]indole-1-carboxylate; 1-Carbomethoxy-beta-carboline; 9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester; 9H-Pyrido[3,4-b]indole-1-carboxylic acid, methyl ester; 3464-66-2; 9H-$b-carboline-1-carboxylic acid methyl ester; 9H-Pyrido(3,4-b)indole-1-carboxylic acid, methyl ester; Kumujan B; 1-carbomethoxy-beta-carboline |
C13H10N2O2 |
226.23g/mol |
COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
|
TCMBANKIN061419 |
2- hydroxy- 1, 2, 3- propane tricarboxylic acid- 2- etester |
1-[5-(2-formlfuryl)methyl] dihydrogen- 2-hydroxy-propane-1,2,3-tricarboxylate 2,3-diethyl ester;Trimethyl citrate;EINECS 216-449-2; 1587-20-8; 27502_FLUKA; Citric acid, trimethyl ester (8CI); NSC 75824; ST5409478; 1,2,3-trimethyl 2-hydroxypropane-1,2,3-tricarboxylate; NCIOpen2_004149; ZINC01701815; Citric acid, trimethyl ester; NSC75824; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester |
C9H14O7 |
234.2 |
COC(=O)CC(CC(=O)OC)(C(=O)OC)O |
|
TCMBANKIN061430 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol;methyl-β-D-fructofuranoside |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061440 |
Phytodolor |
AIDS348374; 7-hydroxy-6,8-dimethoxychromen-2-one; NSC324637; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-chromen-2-one; NSC 324637; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; AIDS-348374; BRN 0202652; 7-hydroxy-6,8-dimethoxy-2-chromenone; 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; 7-hydroxy-6,8-dimethoxy-coumarin; Isofraxidin; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); Coumarin, 7-hydroxy-6,8-dimethoxy-; isofraxidin; 486I215; AC-8051; Q-100542; SCHEMBL3924718; 7-hydroxy-6,8-dimethoxychromen-2-one; HOEVRHHMDJKUMZ-UHFFFAOYSA-N; UNII-304915F056; NSC324637; V1549; 6,8-dimethoxy-7-hydroxycoumarin; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-1-benzopyran-2-one; Isofraxidin, analytical standard; 7-hydroxy-6,8-dimethoxy-chromen-2-one; C17480; NSC 324637; 2H-1-Benzopyran-2-one,7-hydroxy-6,8-dimethoxy-; CTK8E5534; SC-17017; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; CHEMBL451518; AC1NSX0O; Phytodolor; 6,8-dimethoxy-7-oxidanyl-chromen-2-one; FT-0688350; Ambotz486-21-5; TR-017709; A827571; NSC-324637; 6,8-Dimethoxyumbelliferone; AN-8405; DTXSID70197557; I14-19008; BRN 0202652; 7-Hydroxy-6,8-dimethoxycoumarin; LS-39687; FT-0698467; BG01525210; Isofraxidin; AKOS000278010; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); MCULE-8927053707; ZINC1573299; 304915F056; Coumarin, 7-hydroxy-6,8-dimethoxy-; CHEBI:81121; W-2732; MolPort-000-882-100 |
C11H10O5 |
222.19 |
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O |
|
TCMBANKIN061449 |
5-hydroxy-6,7-dimethoxy flavone;Mosloflavone |
5-hydroxy-6,7-dimethoxyflavone;4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-phenyl-; ACon1_000627; AIDS-071775; 5-Hydroxy-6,7-dimethoxyflavone; AIDS071775; MEGxp0_001406; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromone; 5-hydroxy-6,7-dimethoxy-2-phenyl-4-chromenone; 5-hydroxy-6,7-dimethoxy-2-phenyl-chromen-4-one; 740-33-0; 5-hydroxy-6,7-dimethoxy-2-phenylchromen-4-one |
C17H14O5 |
298.29 g/mol |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)OC |
|
TCMBANKIN061457 |
benzyl 2,6-dimethoxybenzoate |
2,6-dimethoxybenzoic acid benzyl ester; NSC644650; Benzyl 2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid phenylmethyl ester; AIDS-138233; AIDS138233; phenylmethyl 2,6-dimethoxybenzoate; ZINC01629268; NCI60_015130 |
C16H16O4 |
272.29 g/mol |
COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2 |
|
TCMBANKIN061499 |
odoratin |
ZINC14759160; NCGC00385697-01!7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one; BDBM50441625; 53948-00-8; 3',7-dihydroxy-4',6-dimethoxyisoflavone; CHEMBL469824; MCULE-3526258136; LMPK12050113; Odoratin; SCHEMBL1248967 |
C19H20O6 |
344.36 |
COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O |
|
TCMBANKIN061529 |
6,7-dimethoxycoumarin |
6, 7-dimethoxycoumarin; 6, 7-dimethoxy coumarin; 6,7-dimethoxy-coumarin; 6, 7- dimethoxycoumarin; 6,7-Dimethoxy coumarin;6,7-dimethoxy-2h-1-benzopyran-2-one;C-10265; EINECS 204-369-0; 6,7-Dimethoxy-Benzopyran-2-one; Dimethyl esculetin; KS-00000W5Q; W-1779; C11H10O4; 6,7-Dimethoxy-Coumarin; AC1L1QYE; DTXSID10152640; ZINC00002067; 6,7-DIMETHOXYCOUMARIN; Esculetin 6,7-dimethyl ether; 6,7-Dimethoxycoumarine; RTR-003340; ST50319943; CJ-00079; BRN 0169572; TR-003340; Scoparin?; Escoparone; 6,7-dimethoxy-2-chromenone; Bio-0192; 6,7-Dimethoxy-2-benzopyrone; 6,7-Dimethoxy-chromen-2-one; BDBM50361374; CC-22351; 2H-1-Benzopyran-2-one,6,7-dimethoxy-; 2H-1-Benzopyran-2-one, 6,7-dimethoxy-; AKOS000277541; AB3000014; 6,7-Dimethoxybenzopyran-2-one; 6,7-Dimethoxy-2H-chromen-2-one #; OR345015; ACon1_002079; SR-01000631300-1; 6,7-Dimethoxy-2H-chromen-2-one; ST5319943; AN-43331; GUAFOGOEJLSQBT-UHFFFAOYSA-N; Scoparone; KSC241M7T; o,o-Dimethylesculetin; 5-18-03-00204 (Beilstein Handbook Reference); BRD-K16835051-001-02-0; Benzopyran-2-one, 6,7-dimethoxy-; SC-46088; PubChem13307; 120S081; 6,7-dimethoxychromen-2-one; H5841PDT4Y; C09311; 254886_ALDRICH; FT-0603321; MEGxp0_001422; Esculetin dimethyl ether; 6,7-Dimethylcoumarine; Scoparon; CHEMBL325864; AM20020282; CCG-41207; 120-08-1; IN1101; LS-55182; Dimethylaesculetin; I14-17932; Maybridge4_003009; SCHEMBL240777; AIDS026315; o-Methylisoscopoletin; Benzopyran-2-one, 6,7-dimethoxy- (9CI); MCULE-1591753422; ZB000476; N2328; AC-11197; Aesculetin dimethyl ether; Coumarin, 6,7-dimethoxy-; 6,7-Dimethylesculetin; 6,7-Dimethoxy-2H-1-benzopyran-2-one; Q-100099; CHEBI:9055; 6,7-dimethoxycoumarin; ZINC2067; BRD-K16835051-001-01-2; MolPort-000-881-854; MFCD00006871; UNII-H5841PDT4Y; HMS1529I17; AB0019685; Scopoletin methyl ether; ACMC-20am0m; scoparone ; AIDS-026315; o-Methylscopoletin; 6,7-Dimethoxycoumarin, 98%;scoparone |
C11H10O4 |
206.19 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC |
|
TCMBANKIN061536 |
Corydaldine |
Maybridge4_000744; 6,7-Dimethoxy-3,4-dihydro-1(2H)-isoquinolinone; 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one; Oprea1_116786; IDI1_031326; ZINC04324103; 6,7-dimethoxy-3,4-dihydroisocarbostyril |
C11H13NO3 |
207.23 |
COC1=C(C=C2C(=C1)CCNC2=O)OC |
|
TCMBANKIN061560 |
3-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-1-propanone |
Propiophenone, 3,4'-dihydroxy-3'-methoxy-; 2196-18-1; 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-; 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one; 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one; ω-Hydroxypropioguaiacone, beta-Hydroxypropiovanillone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one |
C10H12O4 |
196.2 g/mol |
COC1=C(C=CC(=C1)C(=O)CCO)O |
|
TCMBANKIN061590 |
isorhamnetin |
3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether |
C16H12O7 |
316.26 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061654 |
alizarin 2-methylether |
1-hydroxy-2-methoxyanthracene-9,10-dione; Anthraquinone, 1-hydroxy-2-methoxy-; 6003-11-8; alizarin-2-methylether; 1-hydroxy-2-methoxy-9,10-anthraquinone; CCRIS 6434; C10291; MLS001049042; STOCK1N-33834; Alizarin 2-methyl ether; ZINC04042240; 9,10-Anthracenedione, 1-hydroxy-2-methoxy-; SMR000387052; 1-Hydroxy-2-methoxyanthraquinone; 1-hydroxy-2-methoxy-anthracene-9,10-dione;1-hydroxy-2-methoxyanthraquinone;
Alizarin-2-methylether |
C15H10O4 |
254.24 g/mol |
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O |
|
TCMBANKIN061677 |
Cepharanone B |
Aristololactam bii; 37326-16-2; Dibenz[cd,f]indol-4(5H)-one, 1,2-dimethoxy-; Dibenz(cd,f)indol-4(5H)-one, 1,2-dimethoxy-; cepharanone b; 53948-09-7; AIDS224741; AIDS-224741 |
C17H13NO3 |
279.29 |
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)OC |
|
TCMBANKIN061681 |
Nornuciferine;n-nornuciferine;daechualkoloid A;(s)-nornuciferine |
NORAPORPHINE, 1,2-DIMETHOXY-; dl-Nornuciferine; 1,2-Dimethoxynoraporphine; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (+-)- (9CI); nornuciferine; 54750-04-8 |
C18H19NO2 |
281.35 |
COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC |
|
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 |
|
TCMBANKIN061711 |
Gazarin |
2,4,5-trimethoxybenzaldehyde;PubChem8263; K-8969; NSC-89299; MLS002695891; UNII-NDU8J2Q00D; NSC 89299; NCGC00091253-01; MFCD00003312; Asaraldehyde (Asaronaldehyde); SDCCGMLS-0066425.P001; ST2415708; 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI; KBio3_001139; 14374-62-0; AN-12166; DB-051236; KB-85563; 2,4,5-Trimethoxy-benzaldehyd; SBB040214; ACMC-1ADV9; NCGC00091253-03; 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%; NSC89299; Spectrum5_000618; HMS3656M12; CCG-38657; DSSTox_CID_2217; MLS006011864; BCP9000230; AK-81441; STK802187; LABOTEST-BB LT00926884; NCGC00091253-07; TIMTEC-BB SBB040214; TRA0030137; CHEMBL1164301; ZINC336939; NCGC00091253-02; AP-065/41884113; TL806230; AKOS BBS-00003175; LS-1267; BG01511388; CS-6035; 3,6-Trimethoxybenzaldehyde; Asaraldehyde; Spectrum_000818; AKOS000119399; F2190-0582; SR-05000002433; SCHEMBL333451; 3,4, 6-Trimethoxybenzaldehyde; DSSTox_GSID_22217; AB1004251; 2,5-Trimethoxybenzaldehyde; ANW-30143; ZB010841; 4CA-0107; BRD-K88219015-001-02-5; Azarylaldehyde; NCGC00091253-05; DSSTox_RID_76523; BBL011033; SMR000112148; LABOTEST-BB LT03381259; Spectrum3_000170; HMS1922P08; AC-4247; KSC236C5N; BSPBio_001639; Spectrum2_000386; DTXSID1022217; CHEBI:113543; HY-100580; NCI-C61632; BG00603133; MLS002473312; 3,4,6-Trimethoxybenzaldehyde; LABOTEST-BB LT03330935; BCP0726000304; ST093686; CTK1D6156; Asarylaldehyde, analytical standard; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; CAS-4460-86-0; s2531; I01-1219; RTR-017129; PS-6109; 2,4,5-Trimethoxybenzaldheyde; NDU8J2Q00D; AJ-19817; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; 2,4,5-TRIMETHOXYBENZALDEHYDE; KS-00000KKZ; SR-05000002433-1; KBioGR_002238; HMS2268O16; AS02818; LS10199; TR-017129; AC1L2GG7; Gazarin; Acrolein(Propenal); IAJBQAYHSQIQRE-UHFFFAOYSA-N; NCGC00091253-06; RP25437; Tox21_400070; Asaronaldehyde; FT-0609813; Asaraldehyde - Asaronaldehyde; MCULE-7174618286; Spectrum4_001759; AC1Q490G; KBioSS_001298; PARAGOS 530447; KBio2_006434; BCPP000436; MolPort-000-871-193; 60T860; 2,4,5-trimethoxy-benzaldehyde; EINECS 224-713-3; Asarylaldehyde, NSC 89299;4460-86-0; SPBio_000571; 4460-86-0; SC-04555; KBio2_003866; CCRIS 1296; HSDB 4502; Q-100162; 2,4,5-Trimethoxy benzaldehyde; A26620; 4-08-00-02715 (Beilstein Handbook Reference); BB_SC-1446; NCGC00091253-04; AI3-36671; 2,4,5-Trimethoxybenzaldehyde, 98%; Asarylaldehyde;NCI-C61632; ZINC00336939; 3,4,6-Trimethoxybenzaldehyde; Asaraldehyde; Asaronaldehyde; Spectrum_000818; NSC 89299; NCGC00091253-01; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; SDCCGMLS-0066425.P001; 92133_FLUKA; KBio3_001139; 14374-62-0; Spectrum4_001759; KBioSS_001298; KBio2_006434; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; Azarylaldehyde; 2,4,5-TRIMETHOXYBENZALDEHYDE; NCGC00091253-03; KBioGR_002238; EINECS 224-713-3; Spectrum5_000618; NSC89299; SPBio_000571; AP-065/41884113; 4460-86-0; Spectrum3_000170; KBio2_003866; CCRIS 1296; HSDB 4502; 2,4,5-Trimethoxy benzaldehyde; 4-08-00-02715 (Beilstein Handbook Reference); NCGC00091253-02; BSPBio_001639; ST5213363; 132152_ALDRICH; AI3-36671; Spectrum2_000386;;Asarylaldehyde;asaronaldehyde;2,4,5-Trimethoxybenzaldehyde |
C10H12O4 |
196.2 |
COC1=CC(=C(C=C1C=O)OC)OC |
|
TCMBANKIN061713 |
gamma-Asarone |
1-allyl-2,4,5-trimethoxybenzene; gamma-asarone ; 1,2,4-trimethoxy-5-prop-2-enylbenzene; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; 2,4,5-Trimethoxyallylbenzene; 1-Allyl-2,4,5-trimethoxy-benzene; 1,2,4-trimethoxy-5-prop-2-enyl-benzene; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; 5353-15-1; benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1-allyl-2,4,5-trimethoxy-benzene; euasarone; sekishone; 2,4,5-Trimethoxy-1-propenylbenzene; Asarone; LS-32252; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-; EINECS 207-788-7; 1,2,4-trimethoxy-5-propenyl-benzene; AB0013259; asarone, (E)-isomer; Azaron; Etherophenol; trans-Isoasaron; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; C12H16O3; 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene; 1,2,4-Trimethoxy-5-propenyl-(E)-Benzene; HY-N0700; 883A989; alpha-Asarone; Asaron; 1-((1E)prop-1-enyl)-2,4,5-trimethoxybenzene; trans-1-Propenyl-2,4,5-trimethoxybenzene; cis-Isoelemicin; Benzene, 1,2,4-trimethoxy-5-propenyl-; H784; asarone, (Z)-isomer; benzene, 1,2,4-trimethoxy-5-[(1E)-1-propenyl]-; Benzene,2,4-trimethoxy-5-(1-propenyl)-; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)- (9CI); MolPort-003-925-787; Asarabacca camphor; TRANS-ASARONE; 1,2,4-trimethoxy-5-[(1E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-(1-propen-1-yl)-; AB02604; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene;trans-1-Propenyl-2,4,5-trimethoxybenzene; alpha-Asarone, analytical standard; BDBM50240783; 1,2,4-Trimethoxy-5-(1-propenyl)-(E)-Benzene; HSDB 3464; BBL028099; DQY9PNE5FK; MEGxp0_001333; Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-; BG00604371; Q-100365; ACM494406; 1,2,4-Trimethoxy-5-(1-propenyl)benzene; Isoasaron (6CI); BB_NC-2561; Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-; (E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene; alpha-Azaron; SCHEMBL528746; (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene; RKFAZBXYICVSKP-AATRIKPKSA-N; I01-0274; 494-40-6; 1,2,4-trimethoxy-5-trans-propenyl-benzene; STL146379; (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene; 1,2,4-Trimethoxy-5-propenyl-trans-Benzene; ALPHA-ASARONUM; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-; (E)-2,4,5-Trimethoxypropenylbenzene; BRN 1910606; AI3-36897; C17846; MCULE-2232214693; Asarum camphor; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5; AS-13278; AI3-36725; TR-012662; CHEBI:78309; SC-19253; AKOS001590148; CHEMBL333306; trans-2,4,5-Trimethoxypropenylbenzene; BRN 1910605; 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene; alpha-Asarone, 98%; KB-84477; NSC-107257; 2,4,5-TRIMETHOXYPROPENYL BENZENE; EINECS 220-743-6; A819627; (E)-Asarone; Trans-(alpha )-asarone; NSC107257; 4-06-00-07476 (Beilstein Handbook Reference); DTXSID20197784; trans-Isoasarone; alpha-Asaron; 2,4,5-Trimethoxypropen-1-ylbenzene; EINECS 226-096-6; ALPHA-ASARONE (PHENOL DERIVATIVE); SC-80472; Benzene, 1,2,4-trimethoxy-5-propenyl- (8CI); 2883-98-9; UNII-DQY9PNE5FK; MFCD00064457; AB3000031; ACN-043314; CS-5520; 2,4,5-Trimethoxyphenyl-2-propene; M-2120; ZINC56550; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; 17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; compound with 1,2,4-trimethoxy-5-propenyl-benzene (Alphaasarone and cholesterol); AC1LCSZA; 2,5-Trimethoxy-1-propenylbenzene; CCRIS 1592; A-ASARONE; 1,2,4-Trimethoxy-5-propenylbenzene; ASARONE, A-; Benzene,2,4-trimethoxy-5-propenyl-; LS-32253; ST50319782; NSC 107257; CCRIS 1596; 1-allyl-2,4,5-trimethoxybenzene; AC1LCSUD; Sekishon; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; AUNAUZZQBAIQFJ-UHFFFAOYSA-N; gamma-Asarone; Benzene, 1-allyl-2,4,5-trimethoxy-; 5353-15-1; Sekishone; CTK4J1291; 2,4,5-Trimethoxyallylbenzene; 2-Allyl-1,4,5-trimethoxybenzene; g-Asarone; 1,2,4-TRIMETHOXY-5-ALLYLBENZENE; 1,2,4-Trimethoxy-5-(2-propenyl)-Benzene; C17821; 2,4,5-Trimethoxy-1-allylbenzene; CHEBI:81353; SCHEMBL942820; Benzene, 1,2,4-trimethoxy-5-(2-propen-1-yl)-; DTXSID10201743; Euasarone; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; isoasarone; (2,4,5-trimethoxyphenyl)prop-1-ene; Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1,2,4-trimethoxy-5-(prop-2-en-1-yl)benzene; 1,2,4-trimethoxy-5-prop-2-enylbenzene; .gamma.-Asarone |
C12H16O3 |
208.25 g/mol |
COC1=CC(=C(C=C1CC=C)OC)OC |
|
TCMBANKIN061737 |
ZINC00391893;pinostrobin |
ACon1_000237; MEGxp0_001269 |
C16H14O4 |
270.28 g/mol |
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O |
|
TCMBANKIN061751 |
Sinapaldehyde |
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; 4206-58-0; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; sinapaldehyde; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; 3,5-Dimethoxy-4-hydroxycinnamaldehyde (E); (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; MEGxp0_001085; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapinaldehyde; trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; C05610; ACon1_001103; 382159_ALDRICH; Sinapoyl aldehyde; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal; sinapyl aldehyde; CHEBI:27949;sinapal dehyde |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=O |
|
TCMBANKIN061752 |
Syringaldehyde |
BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde |
C9H10O4 |
182.17 g/mol |
COC1=CC(=CC(=C1O)OC)C=O |
|
TCMBANKIN061761 |
Zhebeiresinol |
zhebeiresinol;caruilignan d |
C14H16O6 |
280.27 |
COC1=CC(=CC(=C1O)OC)C2C3COC(=O)C3CO2 |
|
TCMBANKIN061766 |
2,6-dimethoxy-4-(2-propenyl)phenol |
phenol,2,6-dimethoxy-4-(2-propenyl); Methoxyeugenol; NSC16953; 4-Hydroxy-3,5-dimethoxyallylbenzene; InChI=1/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H; methoxyeugenol; 6627-88-9; 2,6-Dimethoxy-4-allylphenol; SBB003607; A31601_ALDRICH; W365505_ALDRICH; Phenol, 4-allyl-2,6-dimethoxy-; NSC60246; 2,6-dimethoxy-4-prop-2-enylphenol; Phenol, 2,6-dimethoxy-4-(2-propenyl)-; ZINC00404273; 4-Allyl-2,6-dimethoxyphenol; 2,6-dimethoxy-4-prop-2-enyl-phenol; 4-allyl-2,6-dimethoxy-phenol |
C11H14O3 |
194.23 g/mol |
COC1=CC(=CC(=C1O)OC)CC=C |
|
TCMBANKIN061773 |
3,4,5-Trimethoxybenzaldehyde |
T68403_ALDRICH; 92140_FLUKA; AIDS017928; BRN 0395163; SBB016338; 4-08-00-02719 (Beilstein Handbook Reference); InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; Benzaldehyde, 3,4,5-trimethoxy-; EINECS 201-701-6; AI3-36673; AIDS-017928; NSC16692; ZINC02504375; 86-81-7; NSC 16692; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,4,5-trimethoxy-benzaldehyde; ANW-38381; F3099-6595; 3,4,5-TRIMETHOXY PHENYL ALDEHYDE; CS-W010602; BG00603136; BBL007764; KSC490M1D; 3, 4, 5-trimethoxy-benzaldehyde; RTR-027021; ST24032528; 3, 4, 5-trimethoxybenzaldehyde; NSC 16692; 3,4,5 -trimethoxybenzaldehyde; TR-027021; AI3-36673; AC1L1NGM; LABOTEST-BB LT03379804; TIMTEC-BB SBB016338; AKOS000118928; NSC-16692; DTXSID4058948; KS-00000JQI; PubChem8266; CHEMBL3577781; RP25430; Benzaldehyde, 3,4,5-trimethoxy-; UNII-WL86YD76N6; TMBA; PARAGOS 530452; BB_SC-6574; 2.3.4-Trihyroxybenzaldehyde; KB-28091; AK-44126; I01-1414; AC1Q489N; AKOS 214-88; AB1003214; LABOTEST-BB LT03333791; FT-0614154; 3,4,5-Trimethoxybenzaldehyde, 98%; 4-08-00-02719 (Beilstein Handbook Reference); 3,4,5,-trimethoxy benzaldehyde; DB-056953; M-3932; ST088220; CCG-231504; InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; 3,4,5 trimethoxybenzaldehyde; LS10216; AJ-35979; MFCD00003364; OPHQOIGEOHXOGX-UHFFFAOYSA-N; AB0007618; 86-81-7; SCHEMBL96635; TL8005630; W-104057; LABOTEST-BB LT00931453; 3,4,5-TRIMETHOXYBENZALDEHYDE; 3,4,5-TRIMETHOXYL BENZALDEHYDE; FT-0082713; BRN 0395163; CTK3J0611; STR03224; SC-07052; ZINC2504375; AC-11732; CJ-08446; OTAVA-BB 7018801952; LS-25170; NSC16692; 3,4,5,-trimethoxybenzaldehyde; WL86YD76N6; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,5-Trimethoxybenzaldehyde; BENZALDEHYDE, 3,4,5-TRIMETHOXY; 3,4,5-trimethoxy benzaldehyde; EINECS 201-701-6; ACMC-209qbj; AS02877; STK498479; 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0% (HPLC); SBB016338; MCULE-4313260384; CT0104; A841837; TRA0091886; AN-42358 |
C10H12O4 |
196.2 g/mol |
COC1=CC(=CC(=C1OC)OC)C=O |
|
TCMBANKIN061786 |
elemicine |
el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) |
C12H16O3 |
208.25 g/mol |
COC1=CC(=CC(=C1OC)OC)CC=C |
|
TCMBANKIN061789 |
TMPEA |
EINECS 200-190-7; NSC30419; 2-(3,4,5-Trimethoxyphenyl)ethylamine; DEA No. 7381; Benzeneethanamine, 3,4,5-trimethoxy-; Mescalin; 2-(3,4,5-trimethoxyphenyl)ethanamine; NINDS_000984; Mezcline; 3,4,5-Trimethoxy-b-phenethylamine; IDI1_000984; DivK1c_000984; Mezcalin; Benzeneethanamine, 3,4,5-trimethoxy- (9CI); Mescaline; Phenethylamine, 3,4,5-trimethoxy-; Phenethylamine, 3,4,5-trimethoxy- (8CI); 54-04-6; Mezcaline; KBio1_000984; Constituent of "Peyote" cacti; 3,4,5-Trimethoxybenzeneethanamine; NSC 30419; 3,4,5-Trimethoxyphenylethylamine; Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-; Oprea1_166025; 4-13-00-02919 (Beilstein Handbook Reference); 3,4,5-Trimethoxyphenethylamine; Mescalin [German]; WLN: Z2R CO1 DO1 EO1; Mescline; BRN 1374088; C06546;mescaline;Meskalin; Mescalin; DEA No. 7381; Mezcline; NSC-30419; 1-amino-2-(3,4,5-trimethoxyphenyl)ethane; Constituent of Peyote cacti; Tmpea; SCHEMBL34190; Phenethylamine, 3,4,5-trimethoxy-; 3,4,5-trimethoxy-phenethylamine; Benzeneethanamine,4,5-trimethoxy-; 3,4,5-Trimethoxybenzeneethanamine; A-7488; Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-; 3,4,5-trimethoxy-phenylethylamine; 2-(3,4,5-Trimethoxyphenyl)ethanamine; C06546; Benzeneethanamine,3,4,5-trimethoxy-; RHO99102VC; EINECS 200-190-7; mezcalina; 2-(3,4,5-trimethoxyphenyl)-ethylamine; NSC30419; mescalina; 2-(3,4,5-Trimethoxyphenyl)ethylamine; UNII-RHO99102VC; LS-103730; 2-(3,4,5-Trimethoxyphenyl)ethanamine #; Peyote; Ethane,4,5-trimethoxyphenyl)-; 2-(3,4,5-trimethoxy-phenyl)-ethylamine; NSC 30419; D0L8MR; 3,4,5-trimethoxyphenethyl-amine; Mescline; Y9395; HSDB 7503; AJ-08069; Benzeneethanamine, 3,4,5-trimethoxy-; CHEBI:28346; 3,4,5-Trimethoxy-b-phenethylamine; 1954/4/6; DivK1c_000984; IDI1_000984; Mezcalin; AC1L1HCV; Benzeneethanamine, 3,4,5-trimethoxy- (9CI); Phenethylamine, 3,4,5-trimethoxy- (8CI); Mezcaline; KBio1_000984; ZINC1689; DTXSID80202303; CHEMBL26687; 2-(3,4,5-trimethoxy-phenyl)ethylamine; WLN: Z2R CO1 DO1 EO1; NINDS_000984; Constituent of ""Peyote"" cacti; BDBM50059891; RP04786; AKOS000277426; AK153291; J-505719; RHCSKNNOAZULRK-UHFFFAOYSA-N; 3,4,5-Trimethoxyphenylethylamine; 3,5-Trimethoxyphenethylamine; CTK4J9394; 2-(3,4,5-trimethoxyphenyl)-ethyl-amine; Oprea1_166025; 3,5-Trimethoxyphenylethylamine; MFCD00128240; (3,4,5-trimethoxy)-benzylmethylamine; 3,4,5-Trimethoxyphenethylamine; Mescalin [German]; NCGC00247674-01; BRN 1374088 |
C11H17NO3 |
211.26 g/mol |
COC1=CC(=CC(=C1OC)OC)CCN |
|
TCMBANKIN061805 |
myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin |
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene |
C11H12O3 |
192.21 g/mol |
COC1=CC(=CC2=C1OCO2)CC=C |
|
TCMBANKIN061875 |
Aristololactum |
13395-02-3; NSC 87406; 4-27-00-06628 (Beilstein Handbook Reference); BRN 0307971; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-; NSC87406; Aristolactam I; ARISTOLOLACTAM; CCRIS 1545; aristolactam i; Aristolactam |
C17H11NO4 |
293.27g/mol |
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5 |
|
TCMBANKIN061892 |
limettin |
HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; citropten; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; citropten; Limetin; 5, 7- dimethoxy coumarin; HMS501D13; MolPort-003-665-736; AC1L1EFT; 5-18-03-00199 (Beilstein Handbook Reference); ACMC-1AM7E; C-10266; A827593; BSPBio_003016; CTK4J0961; NCGC00254844-01; HMS1921E18; Coumarin derivative, 2a; KBio2_003291; AI3-36094; LS-55181; CC-20975; 5,7-Dimethoxy-2H-1-benzo-pyran-2-one; Citropten, analytical standard; AK167951; 5,7-Dimethoxy-2-benzopyrone; DB-051575; DivK1c_000391; CAS-487-06-9; NSC217987; FT-0619848; SR-05000002446-1; NINDS_000391; ST50319835; Spectrum_000243; Tox21_300942; InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3; DTXSID1041421; Limettin; NCGC00094841-02; MCULE-8767481325; TC-168439; AQ-358/43417403; NCGC00178344-01; SMR000112321; OR345352; MLS002703744; SDCCGMLS-0066597.P001; KB-73158; IDI1_000391; 5,7-dimethoxy-coumarin; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 9155AF; CHEMBL481049; 5,7-Dimethoxy-2H-1-benzopyran-2-one; Spectrum5_001348; SCHEMBL516577; DSSTox_CID_21421; 5,7-Dimethoxy-2H-chromen-2-one; EINECS 207-646-4; I14-52904; MLS002472928; DSSTox_GSID_41421; CCG-40277; HMS2268I06; NXJCRELRQHZBQA-UHFFFAOYSA-; NSC 102793; KBioGR_001222; AKOS015915990; KBio2_000723; 487D069; KBio2_005859; Spectrum3_001398; CHEBI:113528; BRD-K78612426-001-02-6; COUMARIN, 5,7-DIMETHOXY-; AN-45243; Citraptene; NCGC00094841-03; Spectrum2_000814; 5, 7-Dimethoxycoumarin; NCGC00094841-01; 5,7-dimethoxychromen-2-one; Spectrum4_000781; BDBM93217; KBio3_002236; NSC-102793; JWE1QQ247N; Limetin; 5,7-Dimethyloxy-2H-1-benzopyran-2-one; CCRIS 3595; NSC-217987; DSSTox_RID_79725; 487-06-9; SPECTRUM1500707; NXJCRELRQHZBQA-UHFFFAOYSA-N; SR-05000002446; Citroptene; 2H-1-Benzopyran-2-one,5,7-dimethoxy-; SPBio_000707; 5,7-dimethoxy-1-benzopyran-2-one; 5,7-Dimethoxycoumarin, 98%; UNII-JWE1QQ247N; KBio1_000391; ZINC57754; AC-20780; 5,7-Dimethoxy-chromen-2-one; NCGC00094841-04; 5,7-Dimethoxycoumarin; 2H-1-Benzopyran-2-one,7-dimethoxy-; MLS002207304; KBioSS_000723; MFCD00006870; BRN 0187066; ZB002255; Coumarin,7-dimethoxy-; Spectrum5_001348; AIDS026325; 5,7-Dimethoxy-2-benzopyrone; ZINC00057754; EINECS 207-646-4; CCRIS 3595; DivK1c_000391; NSC217987; NINDS_000391; 487-06-9; SPECTRUM1500707; Spectrum_000243; ST5319835; Citroptene; Limettin; SPBio_000707; CITROPTEN; NCGC00094841-02; 5-18-03-00199 (Beilstein Handbook Reference); NSC 102793; KBio1_000391; KBioGR_001222; 116238_ALDRICH; BSPBio_003016; KBio2_000723; KBio2_005859; Spectrum3_001398; 5,7-Dimethoxycoumarin; AIDS-026325; AI3-36094; KBio2_003291; SDCCGMLS-0066597.P001; IDI1_000391; Citraptene; 5,7-dimethoxy-2-chromenone; KBioSS_000723; Spectrum2_000814; 5,7-dimethoxy-coumarin; BRN 0187066; NSC102793; 2H-1-Benzopyran-2-one, 5,7-dimethoxy-; 5,7-dimethoxychromen-2-one; Coumarin, 5,7-dimethoxy-; Spectrum4_000781; NCGC00094841-01; KBio3_002236 |
C11H10O4 |
206.19 g/mol |
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC |
|
TCMBANKIN061899 |
4,9-dimethoxy-1-vinyl-beta-carboline |
4,9-dimethoxy-1-vinyl-β-carboline;4,9-dimethoxy-1-vinyl-$b-carboline;4,9-dimethoxy-1-vinylpyrido[3,4-b]indole; 1-ethenyl-4,9-dimethoxy-pyrido[3,4-b]indole; 1-ethenyl-4,9-dimethoxypyrido[3,4-b]indole; 4,9-Dimethoxy-1-vinyl-beta-carboline; 4,9-dimethoxy-1-vinyl-pyrido[3,4-b]indole;CHEMBL3401842; 4,8-dimethoxy-1-vinyl-9H-pyrido[3,4-b]indole; AC1NSUU4; 1-ethenyl-4,8-dimethoxy-9H-pyrido[3,4-b]indole; 4,8-dimethoxy-1-vinyl-9H-$b-carboline; 1-ethenyl-4,9-dimethoxypyrido[3,4-b]indole; 4,9-Dimethoxy-1-vinyl-beta-carboline; Picrasidine D; Kumujian G; 88142-62-5 |
C15H14N2O2 |
254.28 g/mol |
COC1=CN=C(C2=C1C3=CC=CC=C3N2OC)C=C |
|
TCMBANKIN061900 |
1-methoxycanthin-6-one |
1-Methoxycanthinone; AIDS104956; 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-; AIDS-104956; 60755-86-4; 1-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one; 1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one |
C15H10N2O2 |
250.25 |
COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43 |
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TCMBANKIN061902 |
dambonitol |
dambonite |
C8H16O6 |
208.21 |
COC1C(C(C(C(C1O)OC)O)O)O |
|
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 |
|
TCMBANKIN061924 |
jioglutin B |
jioglutin b; jioglutin A; jioglutin a |
|
250.7 |
COC1CC2C3C(O1)OCC3(C(C2O)Cl)O |
|
TCMBANKIN061933 |
DMEP |
DMEPbenzene-1,2-dicarboxylic acid bis(2-methoxyethyl) ester; AI3-01366; Phthalic acid, bis(2-methoxyethyl) ester; ZINC01577177; AI3-01366 (USDA); ST5406816; Di(2-methoxyethyl) phthalate; Phthalic acid, di(methoxyethyl) ester; 36934_RIEDEL; HSDB 5016; Dimethoxy ethyl phthalate; Di(2-methoxyethyl)phthalate; Dimethoxyethyl phthalate; 4-09-00-03241 (Beilstein Handbook Reference); EINECS 204-212-6; Kodaflex DMEP; Di-(2-methoxyethyl)phthalate; Di-(2-Methoxyethyl) ester kyseliny ftalove [Czech]; BRN 2056929; 2-Methoxyethyl phthalate; Kesscoflex MCP; Phthalic acid, bis(2-methoxyethyl) ester (8CI); 117-82-8; Bis(methoxyethyl) phthalate; NSC 2147; Dimethyl cellosolve phthalate; Dimethylglycol phthalate; 1,2-Benzenedicarboxylic acid, bis(2-methoxyethyl) ester; Di-(2-methoxyethyl)ester kyseliny ftalove [Czech]; WLN: 1O2OVR BVO2O1; Bis(methylglycol) phthalate; Bis(2-methoxyethyl) phthalate; Methyl glycol phthalate; NSC2147; 80050_FLUKA; Methox; NCGC00090803-01; bis(2-methoxyethyl) benzene-1,2-dicarboxylate |
C14H18O6 |
282.29 |
COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC |
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TCMBANKIN061936 |
dimethyl sulfone |
RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone |
C2H6O2S |
94.14 g/mol |
CS(=O)(=O)C |
|
TCMBANKIN061939 |
MSM |
Thiobis(methane); Dimethyl sulfide [UN1164] [Flammable liquid]; (methylthio)methane; EINECS 200-846-2; Dimethyl thioether; Methane, thiobis-; Dimethylsulfid [Czech]; 2-Thiapropane; [SMe2]; W274615_ALDRICH; UN1164; 31533-72-9; HSDB 356; InChI=1/C2H6S/c1-3-2/h1-2H; BRN 1696847; REDUCED-DMSO; Dimethyl sulfide (natural); dimethylsulfide; AI3-25274; W274607_ALDRICH; (METHYLSULFANYL)METHANE; thiobismethane; 41625_FLUKA; 274380_ALDRICH; c0237; methylsulfanylmethane; CHEBI:17437; Methanethiomethane; Methyl sulphide; dimethyl sulphide; 75-18-3; Methyl thioether; 4-01-00-01275 (Beilstein Handbook Reference); Methyl monosulfide; Methylthiomethyl radical; Exact-S; 471577_ALDRICH; W274623_ALDRICH; Sulfure de methyle [French]; ZINC06072460; dimethyl sulfide; C00580; 2-Thiopropane; Methylthiomethane; reduced dimethyl sulfoxide; Dimethyl monosulfide; Dimetyl sulfide; FEMA No. 2746; Methyl sulfide |
C2H6S |
62.13 |
CSC |
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TCMBANKIN061957 |
1-Hydroxyanthraquinone |
1- hydroxyl-7hydroxymethylanthraquinone;
α-hydroxyanthraquinone;
Hydroxyanthraquinone |
C14H8O3 |
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C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O |
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Dai SX Lab