|
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 |
|
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 |
|
TCMBANKIN000112 |
yohimbine |
Prestwick2_000584; 146-48-5; InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12?,15?,17?,18-,19+/m0/s; (16alpha,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester; KBio3_001032; Prestwick1_000584; Yohimbic acid methyl ester; 4-25-00-01237 (Beilstein Handbook Reference); IDI1_002213; Lopac0_001210; (+)-Yohimbine; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI); BRN 0097276; Johimbin; 146-48-5 (FREE BASE); Yohimbine; Bio1_001433; Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester; Corynine; 17-Hydroxy-yohimbane-16-carboxylic acid methyl ester; Bio1_000455; KBio3_001031; C09256; BSPBio_000428; 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester; KBio2_005712; Aphrosol; Bio2_000938; 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester; KBioSS_000576; KBio2_000576; (+)-Yohimbin; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.; Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester; SMP1_000320; Yohimbol-16alpha-carboxylic acid, methyl ester (6CI); BCBcMAP01_000032; Quebrachine; KBio2_003144; BB_NC-1430; CHEBI:10093; Prestwick0_000584; EINECS 205-672-0; AIDS011945; Prestwick3_000584; 17-Hydroxyyohimban-16-carboxylic acid methyl ester; methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate; Yohimbin; Bio2_000458; KBioGR_000576; NSC19509 (HCL); BSPBio_001236; AIDS-011945; 65-19-0 (HCL); Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI); trans-Quinolizidine yohimbine; Quebrachin; (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-; nchembio705-2; Bio1_000944; methyl 17alpha-hydroxyyohimban-16alpha-carboxylate; BPBio1_000472; APHRODINE; SPBio_002647 |
C21H26N2O3 |
354.44 |
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
|
TCMBANKIN000137 |
1-Methoxyphaseollidin |
AIDS-096030; AIDS096030; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromene-3,9-diol; (6aR,11aR)-1-Methoxy-10-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol; (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofurano[3,2-c]chromene-3,9-diol |
C21H22O5 |
354.4 g/mol |
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)C |
|
TCMBANKIN000329 |
Erysotrine |
C09423; 27740-43-8; erysotrine |
C19H23NO3 |
313.39 |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
|
TCMBANKIN000442 |
1-Methoxynapthalene |
2216-69-5; alpha-Naphthyl methyl ether; AI3-02144; 1-Methoxynaphthalene; EINECS 218-696-1; AIDS-017812; Methyl 1-naphthyl ether; InChI=1/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H; AIDS017812; .alpha.-Naphthyl methyl ether; NSC5530; 154571_ALDRICH; NSC 5530; ZINC01686999; Naphthalene, 1-methoxy-; alpha-Methoxynaphthalene; .alpha.-Methoxynaphthalene |
C11H10O |
158.2 |
COC1=CC=CC2=CC=CC=C21 |
|
TCMBANKIN000652 |
farfugin A |
farfugin a |
C15H18O |
214.3 |
CC1CCCC2=C1C3=C(C=C2C)OC=C3C |
|
TCMBANKIN000991 |
dan-shexinkum b |
|
|
280.34 |
|
|
TCMBANKIN001076 |
7-methyl-4-methylethenyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
|
|
190.36 |
|
|
TCMBANKIN001147 |
gastrin |
|
C97H126N20O32S |
|
CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCCN7C(=O)CNC(=O)C(CCC(=O)O)N |
|
TCMBANKIN001448 |
1,5,8-trimethyl-1,2-dihydronaphthalene |
1,5,8-trimethyl-1,2-dihydro-naphthalene |
|
172.29 |
|
|
TCMBANKIN001613 |
LC 5504 |
15,16-Diepxoylabdane-14-en-7-one; 132922-55-5; Dispiro(furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen)-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-, (1''R-(1''alpha(R*),2''alpha,4''aalpha,8''abeta))- |
C20H30O3 |
318.45 |
CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C |
|
TCMBANKIN001843 |
caseanidine |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN001885 |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one |
(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one; (3R,4R)-3,4-bis(3,4-dimethoxybenzyl)tetrahydrofuran-2-one; (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-2-tetrahydrofuranone |
C13H22O |
194.31 |
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC)OC)OC |
|
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 |
|
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 |
|
TCMBANKIN002170 |
ST069309 |
2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid; Coumarin 343; EINECS 259-824-6; 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-; 393029_ALDRICH; Oprea1_370773 |
C9H6O2 |
146.14 |
C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1 |
|
TCMBANKIN002295 |
Datumetine |
datumetine |
C16H21NO3 |
275.34 |
CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC |
|
TCMBANKIN002327 |
(+),n-methylcorydine |
|
|
384.54 |
|
|
TCMBANKIN002408 |
tamariscina ester |
|
|
344.39 |
|
|
TCMBANKIN002457 |
2-(4-cyclohexylphenoxy)ethanol |
Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-omega-hydroxy-; NSC68829; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-yl-omega-hydroxy-; 2-(p-Cyclohexyl-phenoxy)ethanol; p-Phenylphenoxy polyethylene glycol; 1020-00-4; 28761-54-8; Ethanol, 2-(4-cyclohexylphenoxy)-; Ethanol, 2-(p-cyclohexylphenoxy)-; para-Phenylphenoxypolyethylene glycol; alpha-(1,1'-Biphenyl)-4-omega-hydroxypoly(oxy-1,2-ethanediyl) |
C14H20O2 |
220.31 g/mol |
C1CCC(CC1)C2=CC=C(C=C2)OCCO |
|
TCMBANKIN002505 |
4b,5,6,7,8,8a,9,10-octahydro-4b,8-dimethyl-2-Isopropylphenanthrene |
|
C19H28 |
256.43 |
CC1CCCC2(C1CCC3=C2C=CC(=C3)C(C)C)C |
|
TCMBANKIN002819 |
3-Methylcoumarin |
3-methyl-2-chromenone; 5-17-10-00165 (Beilstein Handbook Reference); BRN 0122776; EINECS 219-498-8; 3-methylchromen-2-one; Coumarin, methyl-; NCIOpen2_000275; EINECS 215-592-8; 2H-1-Benzopyran-2-one, 3-methyl- (9CI); 2H-1-Benzopyran-2-one, methyl-; 3-Methyl-2H-1-benzopyran-2-one; 2445-82-1; 1333-47-7; Methyl-2-benzopyrone; 2H-1-Benzopyran-2-one, 3-methyl-; Coumarin, 3-methyl-; NSC 65664; NSC65664 |
C10H8O2 |
160.17 g/mol |
CC1=CC2=CC=CC=C2OC1=O |
|
TCMBANKIN002843 |
3β-acetoxyatractylone |
|
C17H22O3 |
274.35 |
|
|
TCMBANKIN002972 |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)chroman-4-one |
(3S)-7-hydroxy-3-(2,3,4-trimethoxyphenyl)-4-chromanone |
C18H18O6 |
330.33 |
|
|
TCMBANKIN003087 |
2-phenyl-1H-isoquinoline |
N-Phenyl-2-naphthalene amine |
|
207.29 |
|
|
TCMBANKIN003110 |
Cularicine |
DTXSID40331769; AC1L9CFH; C09398; CHEBI:3955; cularicine; 2271-08-1; 2271/8/1 |
C18H17NO4 |
311.3 g/mol |
CN1CCC2=C3C1CC4=CC5=C(C=C4OC3=C(C=C2)O)OCO5 |
|
TCMBANKIN003196 |
Diethylbenzylamine |
EINECS 212-251-5; benzyl-diethyl-amine; Benzenemethanamine, N,N-diethyl-; NSC128147; Benzyldiethylamine; Benzylamine, N,N-diethyl-; 772-54-3; N-Benzyldiethylamine; N,N-DIETHYLBENZYLAMINE; N-ethyl-N-(phenylmethyl)ethanamine; ST5445108 |
C11H17N |
163.26 |
CCN(CC)CC1=CC=CC=C1 |
|
TCMBANKIN003248 |
(2R,4aS,10aR)-7-isopropyl-2,4a-dimethyl-1-methylene-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol |
(2R,4aS,10aR)-2,4a-dimethyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-ol |
|
284.48 |
|
|
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 |
|
TCMBANKIN003665 |
evoden |
|
|
|
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
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 |
|
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 |
|
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 |
|
|
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 |
|
|
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 |
|
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 |
|
|
TCMBANKIN005078 |
(1R)-2-methyl-1-phenylprop-2-en-1-ol |
ZINC02508056; (1R)-2-methyl-1-phenyl-prop-2-en-1-ol |
|
148.22 |
|
|
TCMBANKIN005090 |
7-hydroxy-8-(2-hydroxyethyl)coumarin |
7-hydroxy-8-(2-hydroxyethyl)-2-chromenone; 7-hydroxy-8-(2-hydroxyethyl)chromen-2-one |
|
206.21 |
|
|
TCMBANKIN005364 |
Phenylephrine |
|
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN005423 |
Dimethyl anthranilate |
2-Methylaminomethyl benzoate; 85-91-6; BENZOIC ACID METHYL ESTER,2-METHYLAMINO (N-METHYL-ANTHRANILIC ACID METHYL ESTER); Benzoic acid, 2-(methylamino)-, methyl ester; SMR000112458; 65820_FLUKA; AI3-03340; EINECS 201-642-6; Anthranilic acid, N-methyl-, methyl ester; BRN 0607217; Methyl methanthranilate; Methyl-N-methylanthranilate; Methyl o-(methylamino)benzoate; FEMA No. 2718; 4-14-00-01016 (Beilstein Handbook Reference); methyl 2-methylaminobenzoate; W271802_ALDRICH; ZINC00157414; Methyl methylanthranilate; HSDB 2784; Methyl 2-(methylamino)benzoate; NSC9406; N-Methylanthranilic acid, methyl ester; Dimethyl anthranilate (natural); MLS000515990; InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H; N-Methyl methyl anthranilate; W271810_ALDRICH; 2-methylaminobenzoic acid methyl ester; WLN: 1OVR BM1; Methyl methylaminobenzoate; ST5407122; Methyl N-methyl-o-anthranilate; CCRIS 2846; NSC 9406; Methyl N-methylanthranilate |
C9H11NO2 |
165.19 |
CNC1=CC=CC=C1C(=O)OC |
|
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 |
|
TCMBANKIN005553 |
2 - methyl - 3 - (2 - propenyl) - phenol |
|
|
148.22 |
|
|
TCMBANKIN005669 |
2,3,4,7-tetramethoxyxanthone |
2,3,4,7-tetramethoxy-9-xanthenone; AIDS-073387; AIDS073387; 2,3,4,7-tetramethoxyxanthen-9-one; 9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-; NCI60_014913; NSC643978 |
C17H16O6 |
316.3 g/mol |
COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC |
|
TCMBANKIN005906 |
Tetrahydrocorysamine |
tetrahydrocorysamine; AKOS000277823 |
C20H19NO4 |
337.37 |
CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4 |
|
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 |
|
TCMBANKIN006127 |
Phthalic acid, butyl isohexyl ester |
benzene-1,2-dicarboxylic acid O2-butyl O1-isohexyl ester; O2-butyl O1-(4-methylpentyl) benzene-1,2-dicarboxylate; O2-butyl O1-isohexyl benzene-1,2-dicarboxylate |
C18H26O4 |
306.4 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C |
|
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 |
|
TCMBANKIN006201 |
elymoclavine |
|
C16H18N2O |
254.33 |
CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
|
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 |
|
|
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 |
|
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 |
|
TCMBANKIN006808 |
()-N-Methylpseudoephedrine |
(1S,2S)-()-N-Methylpseudoephedrine; (1S,2S)-2-dimethylamino-1-phenylpropan-1-ol; 290041_ALDRICH; (1S,2S)-2-Dimethylamino-1-phenylpropanol; (1S,2S)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN006818 |
Propranolol, L- |
KBio3_000740; BPBio1_001200; KBioSS_000380; BPBio1_001236; KBio2_002948; NCGC00024813-03; BCBcMAP01_000208; KBio2_005516; (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; Prestwick2_001081; Bio2_000360; Prestwick3_001081; BSPBio_001040; PDSP2_000756; Lopac0_001023; EINECS 224-095-5; 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL; (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; BSPBio_001090; Prestwick0_001081; Tocris-0834; IDI1_002115; Prestwick3_001075; BSPBio_001122; (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; nchembio790-comp4; 4199-09-1; SPBio_003021; NCGC00024813-04; Bio2_000840; 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol; KBioGR_000380; NCGC00024813-01; Prestwick1_001081; KBio2_000380; PDSP1_000768; KBio3_000739 |
C16H21NO2 |
259.34 g/mol |
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)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 |
|
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 |
|
TCMBANKIN006917 |
danshenspiroketallactoneii |
|
C17H16O3114 |
286.4 |
|
|
TCMBANKIN006930 |
β-guaiene |
beta-guaiene; (+)-β-Guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
|
TCMBANKIN007097 |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinylquinuclidin-2-yl]methanol |
(S)-(6-methoxy-4-quinolyl)-[(2S,4S,5S)-5-vinyl-2-quinuclidinyl]methanol; (S)-[(4S,5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol |
C20H24N2O2 |
324.42 |
|
|
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 |
|
TCMBANKIN007450 |
p-tert-Butylaniline |
4-tert-Butylaniline; EINECS 212-215-9; 769-92-6; 4-t-Butylbenzeneamine; SBB007738; 209864_ALDRICH; FR-0226; 19560_FLUKA; ZINC04692849; Benzenamine, 4-(1,1-dimethylethyl)-; (4-tert-butylphenyl)amine |
C10H15N |
149.23 |
CC(C)(C)C1=CC=C(C=C1)N |
|
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 |
|
|
TCMBANKIN007561 |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]pyrocatechol |
3-methoxy-4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol |
C16H16O3 |
256.3 |
|
|
TCMBANKIN007726 |
DMBC |
Benzeneethanol, alpha,alpha-dimethyl-; 4-06-00-03290 (Beilstein Handbook Reference); 1,1-Dimethyl-2-phenylethyl alcohol; .alpha.,.alpha.-Dimethylphenethyl alcohol, tech.; alpha,alpha-Dimethylbenzeneethanol; 170275_ALDRICH; .beta.-Phenyl-tert-butyl alcohol; PHENETHYL ALCOHOL, alpha,alpha-DIMETHYL-; 2-Methyl-1-phenyl-2-propanol; NSC27228; ST5409452; Benzyl dimethyl carbinol; Benzyldimethylcarbinol; Benzeneethanol, .alpha.,.alpha.-dimethyl-; FEMA No. 2393; DMBC (VAN); AI3-02949; beta-Phenyl-tert-butyl alcohol; BRN 1855608; WLN: QX1 & 1 & 1R; 2-Benzyl-2-propanol; 1,1-Dimethyl-2-phenylethanol; 1,1-Dimethylphenylethanol; Dimethylbenzylcarbinol; NSC 27228; alpha,alpha-Dimethylphenethanol; InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H; 2-Hydroxy-2-methyl-1-phenylpropane; ZINC01680788; EINECS 202-896-0; .alpha.,.alpha.-Dimethylphenethanol; Phenethyl alcohol, .alpha.,.alpha.-dimethyl-; 100-86-7; Phenyl-tert-butanol; alpha,alpha-Dimethylphenethyl alcohol; NSC46103; Benzylpropyl alcohol; .alpha.,.alpha.-Dimethylphenethyl alcohol; NSC5236; 2-methyl-1-phenyl-propan-2-ol; 2-Methyl-1-phenylpropan-2-ol |
C10H14O |
150.22 |
CC(C)(CC1=CC=CC=C1)O |
|
TCMBANKIN007765 |
GRO |
(R)-(−)-2-Phenylpropionic acid; (2R)-2-phenylpropionic acid; (R)-HTA; (R)-(−)-Hydratropic acid; (2R)-2-phenylpropanoic acid; 279897_ALDRICH; R-2-PHENYL-PROPRIONIC ACID |
C9H10O2 |
150.17 |
CC(C1=CC=CC=C1)C(=O)O |
|
TCMBANKIN007801 |
(2R)-3-oxo-2-phenylbutanenitrile |
ZINC00080804; (2R)-3-keto-2-phenyl-butyronitrile; (2R)-3-oxo-2-phenyl-butanenitrile |
C10H9NO |
159.18 |
|
|
TCMBANKIN007989 |
cyclo(S)-Pro-(R)-Leu |
|
C31H42N6O7 |
|
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43 |
|
TCMBANKIN008058 |
2-(2-hydroxy-4-methylphenyl)propane-1,2,3-triol |
2-(2-hydroxy-4-methyl-phenyl)propane-1,2,3-triol; ACon1_001733 |
C10H14O4 |
198.22 g/mol |
CC1=CC(=C(C=C1)C(CO)(CO)O)O |
|
TCMBANKIN008454 |
Phenyl isobutyrate |
Isobutyric acid, phenyl ester; 2-methylpropanoic acid phenyl ester; 2-methylpropionic acid phenyl ester; phenyl 2-methylpropanoate |
C10H12O2 |
164.2 g/mol |
CC(C)C(=O)OC1=CC=CC=C1 |
|
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
|
TCMBANKIN008710 |
4-[(3R)-3-hydroxybutyl]phenol |
ZINC00506564 |
C10H14O2 |
166.22 |
CC(CCC1=CC=C(C=C1)O)O |
|
TCMBANKIN008738 |
Lindenene |
lindenene |
C15H18O |
214.3 |
CC1=COC2=C1CC3C(=C)C4CC4C3(C2)C |
|
TCMBANKIN008796 |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol |
4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol |
C20H24O4 |
328.4 |
|
|
TCMBANKIN008814 |
1,1,3-trimethylindene |
1H-Indene, 1,1,3-trimethyl-; 1,1,3-Trimethyl-1H-indene |
C12H14 |
158.24 g/mol |
CC1=CC(C2=CC=CC=C12)(C)C |
|
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 |
|
TCMBANKIN008953 |
delta(sup 18)-Hirsutine |
(E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester; Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; 35467-43-7; (3-beta,16E)-16,17,18,19-Tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester; methyl (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; Corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16E)-; methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bR)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester |
C22H26N2O3 |
366.45 |
COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
|
TCMBANKIN009004 |
4-[(1S)-1-hydroxy-2-methylaminoethyl]phenol |
CHEBI:33016; 4-[(1S)-1-hydroxy-2-methylamino-ethyl]phenol; (+)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol; (S)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol; InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H; 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol |
C9H13NO2 |
167.21 |
CNCC(C1=CC=C(C=C1)O)O |
|
TCMBANKIN009019 |
(1R)-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol |
|
|
207.3 |
|
|
TCMBANKIN009035 |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-tetrahydrofuranyl]-2-methoxyphenol |
4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-oxolan-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2R,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
|
342.42 |
|
|
TCMBANKIN009064 |
PHA |
alpha-Aminohydrocinnamic acid, L-; C00079; NSC-9959; nchembio816-comp8; NCGC00013103; P2126_SIAL; beta-phenylalanine; FEMA No. 3585; Phenylalaninum [Latin]; NSC 79477; (S)-2-Amino-3-phenylpropanoic acid; (S)-2-Amino-3-phenylpropionic acid; L-Alanine, 3-phenyl-; NCGC00095047-01; (L)-Phenylalanine; Phenylalanine (VAN); (S)-alpha-Aminohydrocinnamic acid; alpha-Amino-beta-phenylpropionic acid, L-; (S)-alpha-Amino-benzenepropanoic acid; NCIStruc1_000204; Phenylalanine [USAN:INN:JAN]; Phenylalanine (USP/INN); 2-Amino-3-phenylpropionic acid, L-; NCI9959; MTY; 67675-33-6; EINECS 200-568-1; alpha-aminohydrocinnamic acid; (2S)-2-amino-3-phenyl-propionic acid; L-Phenylalanine (JP15); W358509_ALDRICH; Fenilalanina [Spanish]; CCRIS 6767; CHEBI:17295; (2S)-2-amino-3-phenylpropanoic acid; L-PHENYLALININE; NCGC00095047-02; Benzenepropanoic acid, alpha-amino-, (S)-; beta-Phenylalnine, (-)-; Hydrocinnamic acid, alpha-amino-; P8740_SIAL; 10549-09-4; (2S)-2-amino-3-phenyl-propanoic acid; 5297-02-9; P5482_SIGMA; LS-1515; (S)-(-)-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid; HSDB 1825; NCIStruc2_000248; beta-Phenyl-L-alanine; ST5406159; D00021; 78019_FLUKA; Phenylalanine, L-; NCGC00095047-04 |
C35H36N4O5 |
592.7 g/mol |
CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=C4O)C(=O)OC)C)C |
|
TCMBANKIN009095 |
O-acetyl-β-boswellic acid |
|
|
498.82 |
|
|
TCMBANKIN009173 |
cytidine |
|
C9H13N3O5 |
243.22 g/mol |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O |
|
TCMBANKIN009189 |
(S)-Scoulerine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
TCMBANKIN009345 |
chrysin-7-O-glucuronide |
|
C21H18O10 |
430.36 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
|
TCMBANKIN009362 |
Coronaridine |
coronaridine; coronaridine |
C21H26N2O2 |
338.44 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
|
TCMBANKIN009434 |
Ethyl vanillate |
m-Anisic acid, 4-hydroxy-, ethyl ester; Ethyl 4-hydroxy-3-methoxybenzoate; 3-10-00-01413 (Beilstein Handbook Reference); BRN 2100025; Vanillic acid, ethyl ester; AIDS-166466; 4-Hydroxy-3-methoxybenzoic acid ethyl ester; Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester; NSC 8513; SBB005892; EINECS 210-503-9; ethyl 4-hydroxy-3-methoxy-benzoate; ZINC00394800; 617-05-0; 3-Methoxy-4-hydroxybenzoic acid, ethyl ester; AI3-06151; WLN: 2OVR DQ CO1; NSC8513; 4-hydroxy-3-methoxy-benzoic acid ethyl ester; AIDS166466 |
C10H12O4 |
196.2 |
CCOC(=O)C1=CC(=C(C=C1)O)OC |
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009747 |
stepharine |
AC1LH1T2; Stepharine; ZINC26787150; CHEMBL463957 |
C18H19NO3 |
297.35 |
COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
|
TCMBANKIN009856 |
.beta.-Fenchyl acetate, exo- |
[(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
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 |
|
|
TCMBANKIN009990 |
Hemerocallone |
7-(2,5-dimethoxyphenyl)-9-methoxypyrano[2,3-f][1,3]benzodioxol-8-one; 7-(2,5-dimethoxyphenyl)-9-methoxy-8-pyrano[2,3-f][1,3]benzodioxolone; 7-(2,5-dimethoxyphenyl)-9-methoxy-pyrano[2,3-f][1,3]benzodioxol-8-one; hemerocallone |
C19H16O7 |
356.3 g/mol |
COC1=CC(=C(C=C1)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
|
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 |
|
TCMBANKIN010208 |
(1S,2S)-1,2-bis(2-furyl)ethane-1,2-diol |
(1S,2S)-1,2-di(furan-2-yl)ethane-1,2-diol |
C5H6O2 |
98.1 |
|
|
TCMBANKIN010237 |
camphorene |
|
|
272.52 |
|
|
TCMBANKIN010354 |
Cinchonan-9-al, 6'-methoxy-, (9R)- |
EINECS 209-340-6; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinyl-2-quinuclidinyl]methanol; (R)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; 572-59-8 |
C20H24N2O2 |
324.42 |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
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 |
|
TCMBANKIN011548 |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione |
(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (6S)-1,6-dimethyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone |
|
310.37 |
|
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN011665 |
methyl (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate |
methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate; methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; (E)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
C22H26N2O3 |
366.45 |
|
|
TCMBANKIN012034 |
odoricarpin |
|
C18H18O6 |
330.33 |
|
|
TCMBANKIN012472 |
p-Allyltoluene |
1-methyl-4-prop-2-enyl-benzene; 1-Allyl-4-methylbenzene; EINECS 222-063-5; 4-Allyltoluene; Toluene, p-allyl-; 3333-13-9; 4-Isopropenyltoluene; 3-p-Tolylpropene; Benzene, 1-methyl-4-(2-propenyl)-; p-Methylallylbenzene; 1-allyl-4-methyl-benzene; Toluene, p-allyl- (8CI); NSC 73971; NSC73971; 1-methyl-4-prop-2-enylbenzene |
C10H12 |
132.2 |
CC1=CC=C(C=C1)CC=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 |
|
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 |
|
|
TCMBANKIN012636 |
tetrahydroalstonine |
Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 |
C21H25N2O3+ |
353.4 g/mol |
CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
|
TCMBANKIN012698 |
PRZ |
Pyrazine, 2-methoxy-3-(2-methylpropyl)-; 2-Methoxy-3-(2-methylpropyl)pyrazine; EINECS 246-402-1; 297666_ALDRICH; 2-Methoxy-3-isobutylpyrazine; Pyrazine, 2-isobutyl-3-methoxy-; 2-ISOBUTYL-3-METHOXYPYRAZINE; W313203_ALDRICH; FEMA No. 3132; 2-isobutyl-3-methoxy-pyrazine; ST5307154; 3-Isobutyl-2-methoxypyrazine; 24683-00-9; ZINC00156517 |
C9H14N2O |
166.22 |
CC(C)CC1=NC=CN=C1OC |
|
TCMBANKIN012731 |
1-(2-methoxypropan-2-yl)-4-methylbenzene |
1-(1-methoxy-1-methyl-ethyl)-4-methyl-benzene; 1-(2-methoxypropan-2-yl)-4-methyl-benzene; 1-(1-methoxy-1-methylethyl)-4-methylbenzene |
C11H16O |
164.24 |
CC1=CC=C(C=C1)C(C)(C)OC |
|
TCMBANKIN012838 |
Caribine |
74483-60-6; AC1L9BDJ; DTXSID10331599; C08522; CHEBI:3417; caribine |
C19H22N2O3 |
326.39 |
C1CC2C=C3C(CN4C3C(C2NC1)C5=CC6=C(C=C5C4)OCO6)O |
|
TCMBANKIN012894 |
TRIPTONOLIDE |
triptonolide; 6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione; AC1NT199 |
C20H22O4 |
326.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2=O)COC4=O)C)O |
|
TCMBANKIN012991 |
1-Butyl-4-methoxybenzene |
1-butyl-4-methoxy-benzene; Benzene, 1-butyl-4-methoxy-; 18272-84-9; NSC31625 |
C11H16O |
164.24 |
CCCCC1=CC=C(C=C1)OC |
|
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 |
|
TCMBANKIN013185 |
1,4-Dimethoxy-2,3-dimethylbenzene |
Benzene, 1,4-dimethoxy-2,3-dimethyl-; ST5446440; 39021-83-5; 1,4-dimethoxy-2,3-dimethyl-benzene |
C10H14O2 |
166.22 |
CC1=C(C=CC(=C1C)OC)OC |
|
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 |
|
|
TCMBANKIN013327 |
demethylcorydalmatine |
|
|
327.41 |
|
|
TCMBANKIN013328 |
(-)-alpha-N-methylcanadine |
|
|
354.46 |
|
|
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 |
|
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 |
|
TCMBANKIN013527 |
p-Ethylcumene |
1-ethyl-4-isopropyl-benzene; 4218-48-8; 1-ethyl-4-propan-2-ylbenzene; P-ETHYLISOPROPYLBENZENE; 1-ethyl-4-isopropylbenzene; Benzene, 1-ethyl-4-(1-methylethyl)-; Cumene, p-ethyl-; 1-ethyl-4-propan-2-yl-benzene |
C11H16 |
148.24 |
CCC1=CC=C(C=C1)C(C)C |
|
TCMBANKIN013564 |
(2S,4aS,10aR)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol |
(2S,4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol |
|
286.5 |
|
|
TCMBANKIN013711 |
Methyl dehydro-15-hydroxy-abietan-18-oate |
methyl dehydro-15-hydroxy-abietan-18-oate |
|
330.51 |
CC12CCCC(C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
|
TCMBANKIN013812 |
(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol |
(1S,8'R)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; (1S,8'R)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol |
C21H23NO5 |
369.41 |
|
|
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 |
|
TCMBANKIN014270 |
Cheilanthifoline |
cheilanthifoline; CHEMBL1209678; cheilanthifolin(e); Chelianthifoline |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN014279 |
Papaverrubine B |
papaverrubine b |
C21H23NO6 |
385.4 g/mol |
COC1C2=C(C=CC3=C2OCO3)C4C(O1)C5=CC(=C(C=C5CCN4)OC)OC |
|
TCMBANKIN014601 |
2,3-dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(E)-propenyl-benzofuran |
|
|
354.43 |
|
|
TCMBANKIN014671 |
miltionone Ⅰ |
|
312.39 |
49.684394 |
|
|
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 |
|
|
TCMBANKIN014998 |
(-)-roemerine |
|
C18H17NO2 |
279.3 g/mol |
CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 |
|
TCMBANKIN015060 |
Anisketone |
1-(p-Methoxyphenyl)-2-propanone (natural); 64861_FLUKA; NSC 22983; 4-08-00-00460 (Beilstein Handbook Reference); 2-Propanone, 1-(4-methoxyphenyl)-; FEMA No. 2674; 122-84-9; Anisyl methyl ketone; p-Methoxybenzyl methyl ketone; InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H; p-Methoxyphenylacetone; ST5406450; 1-(4-Methoxyphenyl)-2-propanone; 1-(p-Anisyl)-2-propanone; 2-Propanone, 1-(p-methoxyphenyl)-; ghl.PD_Mitscher_leg0.658; (p-Methoxyphenyl)-2-propanone; p-Anisylactone; EINECS 204-578-7; AI3-37913; Anisic ketone; 1-(4-methoxyphenyl)propan-2-one; BRN 2044332; 1-(4-methoxyphenyl)acetone; 4'-Methoxyphenyl-2-propanone; p-Acetonylanisole; W267406_ALDRICH; Anisolacetone; anisketone; 199176_ALDRICH; 4-Methoxyphenylacetone; 2-Propanone, (p-methoxyphenyl)-; 1-(p-Methoxyphenyl)-2-propanone; NSC46101; ZINC01848437; NSC22983; 4-Methoxybenzyl methyl ketone; Anisalacetone |
C10H12O2 |
164.2 |
CC(=O)CC1=CC=C(C=C1)OC |
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN015528 |
levodopa |
Dopaston SE; Helfo-dopa; Eurodopa; Dopastral; Veldopa; Biodopa; Dopal; BSPBio_000053; Levedopa; SPBio_000391; L-O-Hydroxytyrosine; .Beta.-(3,4-Dihydroxyphenyl)-L-alanine; SPECTRUM2300205; Spectrum2_000496; beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine; KBio2_000934; 3,4-Dihydroxyphenylalanine (VAN); Cidandopa; (-)-Dopa; Pardopa; Levodopa (JP15/USP/INN); (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid; D9628; Dihydroxy-L-phenylalanine; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-; Levodopum [INN-Latin]; DivK1c_000452; (-)-(3,4-Dihydroxyphenyl)alanine; L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine; Prestwick3_000017; Brocadopa; L(-)-Dopa; EINECS 200-445-2; SDCCGMLS-0066924.P001; 3,4-Dihydroxyphenylalanine; Levopa; Dopar (TN); Dopal-fher; PDSP1_001541; Spectrum5_001899; L-(o-Dihydroxyphenyl)alanine; BPBio1_000059; Dopaflex; NSC118381; CHEBI:15765; nchembio.2007.55-comp26; 72572-99-7; Syndopa; Eldopatec; Lopac-D-9628; Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-; Ro 4-6316; KBio2_006070; DAH; .Beta.-(3, 4-Dihydroxyphenyl)alanine; Dopalina; Doparl; KBioGR_001177; 3-Hydroxytyrosine; Lopac0_000454; InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14; KBioSS_000934; Cerepar; Dopaston; L-Dihydroxyphenylalanine; L-3-Hydroxytyrosine; L-O-Dihydroxyphenylalanine; AIDS126624; beta-(3,4-dihydroxyphenyl)alanine; Prestwick1_000017; Helfo DOPA; AIDS-126624; Dopasol; L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; Alanine, 3-(3,4-dihydroxyphenyl)-; Tyrosine, 3-hydroxy-; NINDS_000452; NCGC00016270-01; Eldopar; Insulamina; NCGC00015384-01; D9628_SIGMA; Prodopa; PDSP2_001525; Dopaidan; Dopar; C00355; L-(-)-Dopa; KBio1_000452; Bendopa; Spectrum4_000539; D00059; 3,4-Dihydroxyphenyl-L-alanine; L-3-(3,4-Dihydroxyphenyl)alanine; CAS-59-92-7; CCRIS 3766; L-beta-(3,4-Dihydroxyphenyl)alanine; 23734-74-9; Levodopa; L-(3, 4-Dihydroxyphenyl)alanine; Sobiodopa; EU-0100454; Larodopa; Levodopa [USAN:BAN:INN:JAN]; L-.Beta.-(3,4-Dihydroxyphenyl)alanine; L Dopa; IDI1_000452; 88250-23-1; Doprin; Spectrum_000454; Component of Sinemet; 37830_FLUKA; Cerepap; Prestwick0_000017; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; ST5330614; 25525-15-9; Prestwick_185; L-Tyrosine, 3-hydroxy-; 34241-25-3; 3, 4-Dihydroxy-L-phenylalanine; 72573-00-3; 90638-38-3; Doparkine; Prestwick2_000017; Eldopal; beta-(3,4-Dihydroxyphenyl)-L-alanine; MLS000028514; 3-Hydroxy-L-tyrosine; (-)-3-(3,4-Dihydroxyphenyl)-L-alanine; BSPBio_002354; SMR000058312; 3-(3,4-Dihydroxyphenyl)-L-alanine; SPBio_001974; HSDB 3348; NSC 118381; 587-45-1; Maipedopa; 3, 4-Dihydroxyphenylalanine; KBio2_003502; Deadopa |
C9H11NO4 |
197.19 |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O |
|
TCMBANKIN015673 |
1,3-dimethylbutylbenzene |
|
C12H18 |
162.27 |
CC(C)CC(C)C1=CC=CC=C1 |
|
TCMBANKIN015684 |
dehydrocavidine |
|
|
351.43 |
|
|
TCMBANKIN015753 |
1,7-diphenyl-5-hydroxy-3-heptanone |
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-,(R)- |
C19H22O2 |
282.38 |
C1=CC=C(C=C1)CCC(CC(=O)CCC2=CC=CC=C2)O |
|
TCMBANKIN015846 |
Sympamin |
(S)-alpha-methylbenzeneethanamine; (+)-alpha-Methylphenylethylamine; (S)-(+)-beta-Phenylisopropylamine; Dexamfetamine (INN); Dextroamphetamine; Benzeneethanamine, alpha-methyl-, (alphaS)-; Phenethylamine, alpha-methyl-, d-; d-1-Phenyl-2-aminopropan [German]; Dexanfetamina [INN-Spanish]; Benzeneethanamine, alpha-methyl-, (S)-; 4-12-00-02587 (Beilstein Handbook Reference); D03740; (S)-alpha-Methylphenethylamine; (2S)-1-phenylpropan-2-amine; D-(+)-Amphetamine; (+)-alpha-Methylphenethylamine; Dextroamphetamine [USAN]; PDSP2_001495; d-alpha-Methylphenethylamine; Phenethylamine, alpha-methyl-, (+)- (8CI); [(1S)-1-methyl-2-phenyl-ethyl]amine; 51-64-9; Dexamfetamine; Dexidrine; (alphaS)-alpha-methylbenzeneethanamine; (+)-Phenaminum; Dexadrine; (+)-(S)-Amphetamine; alpha-Methylphenethylamine, d-form; C07884; Dextroamphetamine (USAN); Desamfetamina [DCIT]; Dexamphetaminum [INN-Latin]; (S)-1-Phenyl-2-aminopropane; Dexamfetamina [INN-Spanish]; (S)-1-Phenyl-2-propanamine; (2S)-(+)-Amphetamine; PDSP1_001511; BRN 2205872; HSDB 3055; NSC 73713; Dexamfetaminum [INN-Latin]; EINECS 200-112-1; CHEBI:4469; DEA No. 1100; (S)-1-Phenyl-2-propylamine; Desamfetamina; Benzeneethanamine, alpha-methyl-, (aS)- (9CI); (S)-alpha-Phenylethylamine; Phenethylamine, alpha-methyl-, (+)- |
C9H13N |
135.21 |
CC(CC1=CC=CC=C1)N |
|
TCMBANKIN015944 |
PDSP1_000624 |
|
C19H19NO4 |
325.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
|
TCMBANKIN015974 |
Asimilobine |
6871-21-2; 125678-63-9; (+)-Asimilobine; 4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-, (R)-; CHEMBL389271; asimilobine |
C17H17NO2 |
267.32 |
COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O |
|
TCMBANKIN016075 |
ST057701 |
NCGC00142558-01 |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)O)OC |
|
TCMBANKIN016142 |
1,3-dimethoxy-5-(2-phenylethyl)benzene |
|
|
242.34 |
|
|
TCMBANKIN016154 |
3beta-Hydroxytanshinone IIA |
(7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; CHEMBL377478; AC1NSWQG; 3β-hydroxytanshinone iia; 3beta-hydroxytanshinone iia; 3-hydroxytanshinone; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
C19H18O4 |
310.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O |
|
TCMBANKIN016334 |
(-)-noradrenaline |
to_000024; 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-; KBio3_001579; CHEBI:18357; NCGC00159406-02; 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol; Levoarterenol; KBio2_006625; KBio1_000230; L-Noradrenaline; NCGC00159406-05; Nor adrenalin (TN); Nor adrenalin; Noradrenaline (JP15); NINDS_000230; 4-[(1R)-2-amino-1-hydroxy-ethyl]pyrocatechol; Spectrum_001009; norepinephrinum; SPECTRUM1500436; KBio2_004057; Spectrum3_000520; KBio2_001489; DivK1c_000230; nchembio705-1; PDSP1_001111; 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol; 51-41-2; 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-; KBioSS_001489; C00547; NCGC00159406-04; BSPBio_002079; AIDS335520; A7257_SIGMA; KBioGR_000635; D00076; (−)-Norepinephrine; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(-)-; Spectrum5_001068; Arterenol; Spectrum4_000078; PDSP2_001095; Spectrum2_001064; (-)-(R)-Norepinephrine; SGCUT00123; AIDS-335520; Norepinephrine (INN); SPBio_001048; IDI1_000230 |
C8H11NO3 |
169.18 |
C1=CC(=C(C=C1C(CN)O)O)O |
|
TCMBANKIN016580 |
1-[4-(1-methyl-2-propenyl) phenyl]-ethanone |
|
C12H14O |
174.24 g/mol |
CC(C=C)C1=CC=C(C=C1)C(=O)C |
|
TCMBANKIN016599 |
Wilsonine |
wilsonine |
C20H25NO4 |
343.4 g/mol |
COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC |
|
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 |
|
TCMBANKIN016793 |
Inermine |
C10502; (-)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis)-; ST077155; 2035-15-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN016798 |
Capaurine |
capaurine; C09371; 13a-alpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol; 6H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)- (9CI); (-)-Capaurine; 478-14-8; 13aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI); NSC 404532; l-Capaurine; 2,3,9,10-Tetramethoxy-13a-alpha-berbin-1-ol |
C21H25NO5 |
371.43 |
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
|
TCMBANKIN016901 |
N-methyl-2-β-Hydroxypropyl piperidine |
|
C21H27NO2 |
|
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3 |
|
TCMBANKIN017038 |
p-tert-Butylthiophenol |
Benzenethiol, p-tert-butyl-; Benzenethiol, p-tert-butylthio-; EINECS 219-255-6; NSC57807; 4-06-00-03316 (Beilstein Handbook Reference); NSC229514; 4-tert-Butylthiophenol; NSC 57807; p-tert-Butylbenzenethiol; NSC26804; BRN 0606476; ST5409687; 4-tert-Butylbenzenethiol; Benzenethiol, 4-(1,1-dimethylethyl)-; p-tert-Butylphenyl mercaptan; NSC 26804; AI3-26176; 2396-68-1; Benzenethiol, 4-(1,1-dimethylethyl)- (9CI); 593656_ALDRICH; WLN: SHR DX1&1&1 |
C10H14S |
166.28 |
CC(C)(C)C1=CC=C(C=C1)S |
|
TCMBANKIN017488 |
trans-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN017774 |
(1R,3aS,4R,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
|
C22H26O6 |
386.44 |
|
|
TCMBANKIN017783 |
Butyrophenone |
InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H; W504904_ALDRICH; 1-Phenyl-1-butanone; 1-phenylbutan-1-one; Propyl phenyl ketone; 495-40-9; 1-Butanone, 1-phenyl-; n-Butyrophenone; AI3-02062; 20770_FLUKA; ZINC01586755; NSC 8463; EINECS 207-799-7; 124338_ALDRICH; Phenyl propyl ketone; NSC8463 |
C10H12O |
148.2 |
CCCC(=O)C1=CC=CC=C1 |
|
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 |
|
|
TCMBANKIN017963 |
Loureirin A |
loureirin a; 119425-89-7; MolPort-020-005-759; LMPK12120602; CHEMBL253779; CS-7883; RSAIVLRELNGZEY-UHFFFAOYSA-N; AC1NSXMO; BG01578740; 8165AH; FT-0715269; AKOS030573608; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-on; SCHEMBL7187176; 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one; HY-N1505; AK608334; ZINC13341184 |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC |
|
TCMBANKIN017982 |
cephalin |
|
|
271.19 |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC |
|
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 |
|
TCMBANKIN018383 |
(1,2-DIMETHYLPROPYL)BENZENE |
|
C11H16 |
148.24 g/mol |
CC(C)C(C)C1=CC=CC=C1 |
|
TCMBANKIN018460 |
dihydrotanshinlactone |
|
|
266.31 |
|
|
TCMBANKIN018651 |
Tetrahydromagnolol |
tetrahydro-magnolol; 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol; DTXSID30415784; CHEMBL32362; magnolignan; D09209; AK558283; MolPort-044-561-199; CTK0J8666; 5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol; SCHEMBL662610; 2,2'-dihydroxy-5,5'-dipropyl-biphenyl; 20601-85-8; [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-; MLO; tetrahydromagnolol; AKOS030533113; 2-(2-hydroxy-5-propylphenyl)-4-propylphenol; BDBM50428092; ZINC29227697; AC1NT0WA |
C18H22O2 |
270.4 g/mol |
CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O |
|
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 |
|
TCMBANKIN018694 |
Tremetone |
UVYUUQGGBNKRFU-UHFFFAOYSA-N; MEGxp0_001566; NCI60_001975; (.+/-.)-Tremeton; CHEMBL1985317; (.+/-.)-Tremetone; 2-Isopropenyl-5-acetyl-2,3-dihydrobenzofuran; 4976-25-4; AI3-44563; BRD-A14659197-001-01-5; 1-(2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl)ethanone; Ethanone, 1-(2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl)-, (R)- (9CI); NSC 247531; Ethanone, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-; Ketone,3-dihydro-2-isopropenyl-5-benzofuranyl methyl; tremetone; InChI=1/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H; SCHEMBL4743840; 1-[(2R)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone; NSC-247531; AC1L7VGH; NCGC00179737-01; ACon1_002193; 1-[(2R)-2-isopropenyl-2,3-dihydrobenzofuran-5-yl]ethanone; NP-009515; Ketone, 2,3-dihydro-2-isopropenyl-5-benzofuranyl methyl (8CI); NSC247531; C08992; Ethanone,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-, (R)- |
C13H14O2 |
202.25 |
CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C |
|
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 |
|
|
TCMBANKIN018881 |
Triptinin B |
triptinin b |
C20H26O3 |
314.4 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)C)C)C(=O)O |
|
TCMBANKIN019088 |
thalbaicalidine |
Thalbaicalidine |
C21H25NO5 |
371.43 |
CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2O)OC)OC)OC)OC |
|
TCMBANKIN019480 |
[(1R)-1-methoxyethyl]benzene |
|
|
136.21 |
|
|
TCMBANKIN019652 |
D-Phenylalanine |
EINECS 211-603-5; Spectrum4_000865; Spectrum5_001137; (2R)-2-amino-3-phenyl-propionic acid; 673-06-3; CHEBI:16998; (2R)-2-amino-3-phenylpropanoic acid; SPECTRUM1503391; KBio1_000453; C02265; KBio2_002205; 78030_FLUKA; KBio2_007341; (2R)-2-amino-3-phenyl-propanoic acid; NINDS_000453; Phenylalanine D-form; NCGC00163338-01; InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12; D-alpha-Amino-beta-phenylpropionic acid; SPBio_001436; CCRIS 6267; KBioSS_002205; IDI1_000453; Spectrum2_001558; NCI-C60195; NSC 25005; DivK1c_000453; (R)-2-Amino-3-phenylpropionic acid; P1751_SIGMA; Spectrum_001725; 10549-11-8; KBio2_004773; KBioGR_001529 |
C9H11NO2 |
165.19 |
C1=CC=C(C=C1)CC(C(=O)O)N |
|
TCMBANKIN019771 |
Ethyl p-toluate |
p-Toluic acid, ethyl ester; 4-methylbenzoic acid ethyl ester; InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H; 94-08-6; EINECS 202-301-4; NSC24767; ZINC00164611; 172693_ALDRICH; Benzoic acid, 4-methyl-, ethyl ester; Ethyl 4-methylbenzoate; AI3-31106; ST5406825; Ethyl p-methylbenzoate; p-Toluic acid ethyl ester |
C10H12O2 |
164.2 g/mol |
CCOC(=O)C1=CC=C(C=C1)C |
|
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 |
|
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 |
|
|
TCMBANKIN020062 |
1,2-Benzenedicarboxylicacid, mono(2-ethyl) hexylester |
1,2-Benzenedicarboxylic acid,mono[2-ethylhexyl] ester |
|
278.38 |
|
|
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 |
|
TCMBANKIN020180 |
Estriol |
(13S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol; AKOS025310086; NCGC00094674-02; estriol; NCGC00094674-01; A828047; HMS3369D13 |
C18H24O3 |
288.38 |
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O |
|
TCMBANKIN020231 |
Dihydrocorynantheine |
Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (2S-(2alpha(E),3alpha,12balpha))-; 7729-22-8; Isocorynantheidine; Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3S,12bR)-; dihydrocorynantheine; Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3beta,16E,20beta)-; 3-Isocorynantheidine; UNII-2CB4G689XT; 2CB4G689XT; 17,18-Seco-3beta,20alpha-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)- |
C22H28N2O3 |
368.47 |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
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 |
|
TCMBANKIN020336 |
[(2R)-pentan-2-yl]benzene |
[(1R)-1-methylbutyl]benzene |
C11H16 |
148.24 |
|
|
TCMBANKIN020752 |
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN020906 |
p-Ethylphenetole |
Benzene, 1-ethoxy-4-ethyl-; 1-Ethoxy-4-ethylbenzene; 1-ethoxy-4-ethyl-benzene; EINECS 216-438-2; 1585-06-4 |
C10H14O |
150.22 |
CCC1=CC=C(C=C1)OCC |
|
TCMBANKIN020933 |
Physovenine |
physovenine; H67Q5553UW; CHEMBL205231; (-)-Physovenine; (3aS)-3aalpha,8-Dimethyl-5-(methylcarbamoyloxy)-3,3a,8,8aalpha-tetrahydro-2H-furo[2,3-b]indole; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] ester; C09232; AC1L9C9Q; SCHEMBL1666015; 2H-Furo(2,3-b)indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aS-cis)-; (3AS,8AS)-3A,8-DIMETHYL-2H,3H,8AH-FURO[2,3-B]INDOL-5-YL N-METHYLCARBAMATE; [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate; CHEBI:8188; UNII-H67Q5553UW; 6091-05-0 |
C14H18N2O3 |
262.3 |
CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C |
|
TCMBANKIN021165 |
(1R,2R)-2-dimethylamino-1-phenylpropan-1-ol |
(1R,2R)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN021213 |
(R)-(6-methoxy-4-quinolyl)-[(2R,4R,5S)-5-vinylquinuclidin-2-yl]methanol |
(R)-(6-methoxy-4-quinolyl)-[(2R,4R,5S)-5-vinyl-2-quinuclidinyl]methanol; (R)-[(4R,5S,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol |
C20H24N2O2 |
324.42 |
|
|
TCMBANKIN021214 |
suchilactone |
SCHEMBL15624884 |
C21H20O6 |
368.38 |
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
|
TCMBANKIN021453 |
stesakine |
Stesakine |
C19H19NO4 |
325.36 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)O)OCO3 |
|
TCMBANKIN021600 |
Clarkeanidine |
6H-Dibenzo(a,g)quinolizine-1,9-diol, 5,8,13,13a-tetrahydro-2,10-dimethoxy-, (S)-; (13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol; 99615-99-3 |
C19H21NO4 |
327.37 |
COC1=C(C2=C(CCN3C2CC4=C(C3)C(=C(C=C4)OC)O)C=C1)O |
|
TCMBANKIN021624 |
(1S,4R)-1,4-dimethyltetralin |
(1R,4S)-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene |
C12H16 |
160.26 |
CC1CCC(C2=CC=CC=C12)C |
|
TCMBANKIN021664 |
(1R)-2-[(2S)-1-methyl-2-piperidyl]-1-phenyl-ethanol |
(1R)-2-[(2S)-1-methyl-2-piperidinyl]-1-phenylethanol; (1R)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenyl-ethanol; (1R)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenylethanol |
|
219.36 |
|
|
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 |
|
TCMBANKIN021676 |
1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene |
|
C18H20O3 |
284.38 |
|
|
TCMBANKIN021683 |
4-allyl-2-meth-oxyphenyl 2-methylbutanoate |
|
|
248.35 |
|
|
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 |
|
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 |
|
TCMBANKIN021964 |
1-isobutyl-2,5-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN021965 |
baicalidine |
|
C21H23NO5 |
369.41 |
|
|
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 |
|
TCMBANKIN022149 |
Chamissonin diacetate |
[(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate; [(3aR,4R,5E,7R,9E,11aS)-7-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate; C09356; acetic acid [(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,7,8,11,11a-hexahydrocyclodeca[d]furan-4-yl] ester; 24112-95-6; acetic acid [(3aR,4R,5E,7R,9E,11aS)-7-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester; chamissonin diacetate; [(3aR,4R,5E,7R,9E,11aS)-7-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ethanoate |
C19H24O6 |
348.39 |
CC1=CCC(C(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)C)OC(=O)C |
|
TCMBANKIN022290 |
isocorybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)O |
|
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 |
|
|
TCMBANKIN022324 |
1-propenyl-2-vinyl-4-methylcycloheptane |
|
|
178.35 |
|
|
TCMBANKIN022327 |
norglaucing |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN022410 |
isokurarinone |
LMPK12140464; Isokurarinone |
C26H30O6 |
438.51 |
CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C |
|
TCMBANKIN022422 |
(−)-Alloaromadendrene |
(−)-allo-Aromadendrene; 05680_FLUKA |
C10H18O |
154.25 |
|
|
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 |
|
|
TCMBANKIN022547 |
n,n-dimethyltryptamine |
EINECS 200-508-4; ZINC897457; MB00483; 2-(1H-Indol-3-yl)-N,N-dimethylethanamine #; AN-41827; Indolalkylamine der; GTPL141; FT-0667348; BRN 0138259; WUB601BHAA; DB01488; 61-50-7; WLN: T56 BMJ D2N1&1; FCH838678; AKOS005446117; STK370594; Dimethyltryptamine(DMT); DTXSID60110053; N,N-Dimethyltryptamine, >=97% (HPLC); 2-(1H-indol-3-yl)-N,N-dimethylethylamine; 3-[2- (dimethylamino)ethyl]-Indole; N,N-dimethyl-1H-Indole-3-ethanamine (9CI); AC1L1LS3; KB-296215; 2-(1H-Indol-3-yl)-N,N-dimethylethanamine; SCHEMBL335710; NSC63795; 061D507; N,N-Dimethyltryptamine, free base; N,N-DIMETHYLTRYPTAMINE; DIMETHYLTRYPTAMINE; 1H-Indole-3-ethanamine, N,N-dimethyl-; N,N-dimethyl-1H-Indole-3-ethanamine; 1H-INDOLE-3-ETHANAMINE,N,N-DIMETHYL; InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H; 3-(2-(dimethylamino)ethyl)-Indole; Indole, 3-[2-(dimethylamino)ethyl]-; D-5500; (2-Indol-3-ylethyl)dimethylamine; LS-82930; 2-(1H-indol-3-yl)-N,N-dimethylethanamine (ACD/Name 4.0); [2-(1H-indol-3-yl)ethyl]dimethylamine; 2-(3-Indolyl)ethyldimethylamine; 2-(1H-INDOL-3-YL)-N,N-DIMETHYL-ETHANAMINE; NSC-63795; CHEMBL12420; DMT (psychogenic); UNII-WUB601BHAA; MFCD00055989; Indole, 3-(2-(dimethylamino)ethyl)-; N,N-Dimethyltryptamine (DMT) solution, 1.0 mg/mL in methanol, certified reference material; D0K1QS; DEA No. 7435; N-(2-(1H-indol-3-yl)ethyl)-N,N-dimethylamine (ACD/Name 4.0); [2-(1H-INDOL-3-YL)-ETHYL]-DIMETHYL-AMINE; CHEBI:28969; BDBM50026868; 2-(1H-indol-3-yl)-ethyl-dimethyl-amine; 1H-Indole-3-ethanamine, N,N-dimethyl- (9CI); 3-[2-(dimethylamino)ethyl]indole; 3-(2-Dimethylaminoethyl)indole; NSC 63795; 3-(2-DIMETHYLAMINOETHYL) INDOLE; L001288; CTK5B3344; DMULVCHRPCFFGV-UHFFFAOYSA-N; 1H-Indole-3-ethanamine,N,N-dimethyl-; C08302; HSDB 8017; 3-(dimethylaminoethyl)-indole; N,N-Dimethyl-1H-indole-3-ethylamine; (psychogenic); 68677-25-8 |
C12H16N2 |
188.27 g/mol |
CN(C)CCC1=CNC2=CC=CC=C21 |
|
TCMBANKIN022549 |
shinpterocarpin |
|
C20H18O4 |
322.35 |
CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C |
|
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 |
|
TCMBANKIN022728 |
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene |
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzene; 1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene |
|
300.38 |
|
|
TCMBANKIN022737 |
1,1-diethylpropylbenzene |
(1,1-DIETHYLPROPYL)BENZENE; 4170-84-7; Benzene, (1,1-diethylpropyl)-; 4170-07-4; 3-ethylpentan-3-ylbenzene |
C13H20 |
176.3 g/mol |
CCC(CC)(CC)C1=CC=CC=C1 |
|
TCMBANKIN022801 |
3,4',5-Trihydroxy-7-methoxy-8-isopente-nylflavone |
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromone; 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)-4-chromenone |
C21H20O6 |
368.38 |
|
|
TCMBANKIN022832 |
Duartin |
101311-04-0; (3R)-3-(3-hydroxy-2,4-dimethoxy-phenyl)-8-methoxy-chroman-7-ol; 7,3'-Dihydroxy-2',4',8-trimethoxyisoflavan; KBio2_006426; KBioGR_001943; DivK1c_006984; KBioSS_001290; Spectrum4_001602; Spectrum_000810; KBio2_001290; SpecPlus_000888; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxychroman-7-ol; Spectrum5_000323; (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-7-chromanol; KBio2_003858; KBio1_001928; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-, (R)- |
C18H20O6 |
332.35 |
COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O |
|
TCMBANKIN022858 |
(S)-tropic acid |
(2S)-3-hydroxy-2-phenyl-propionic acid; (2S)-3-hydroxy-2-phenyl-propanoic acid; (2S)-3-hydroxy-2-phenylpropanoic acid; CHEBI:30766 |
C9H10O3 |
166.17 |
C1=CC=C(C=C1)C(CO)C(=O)O |
|
TCMBANKIN022932 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
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 |
|
TCMBANKIN023346 |
Cedrene-V6 |
|
C15H24 |
204.35 g/mol |
CC1=C2CCC(C2CCC1(C)C)(C)C=C |
|
TCMBANKIN023497 |
e-nuciferol |
|
|
218.37 |
|
|
TCMBANKIN023639 |
Ibogain |
DEA No. 7260; Ibogaine (8CI); NIH 10567; EINECS 201-498-4; 7-Ethyl-6,6beta,7,8,9,10,12,13-octahydro-2-methoxy-6,9-methano-5H-pyrido(1',2':1,2)azepino(5,4-b)indole; Tabernanthe iboga; 12-Methoxyibogamine; NSC 249764; 17378-46-0; Endabuse |
C20H26N2O |
310.43 |
CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC |
|
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 |
|
TCMBANKIN023946 |
Corydalmine |
corydalmine ; corydalmine |
C20H23NO4 |
341.4 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)OC |
|
TCMBANKIN023992 |
Bethanid |
Bethanidine; Guanidine, 2-benzyl-1,3-dimethyl-; CHEBI:37937; Betanidine; Bethanidine Sulfate (2:1) (USAN); Betanidinum [INN-Latin]; Bethanidine hemisulfate; 1-(benzyl)-2,3-dimethyl-guanidine; NSC106563 (SULFATE SALT); Guanidine, N, N'-dimethyl-N''-(phenylmethyl)-, sulfate (2:1); 114-85-2 (SULFATE SALT); BW 467C60; Guanidine, 1-benzyl-2,3-dimethyl- (8CI); Guanidine, 1-benzyl-2,3-dimethyl-, sulfate (2:1); 1,2-dimethyl-3-(phenylmethyl)guanidine; BW467C60; Bethanidine Sulfate (2:1); Sulfuric acid compound with N''-benzyl-N,N'-dimethylguanidine (1:1); Betanidol; AIDS156054; 2-Benzyl-1,3-dimethylguanidine; 1-BENZYL-2,3-DIMETHYLGUANIDINE; N,N'-dimethyl-N''-(phenylmethyl)-guanidine; 2,3-dimethyl-1-(phenylmethyl)guanidine; AIDS-156054; Betanidole; Betanidina [INN-Spanish]; Guanidine, N,N'-dimethyl-N''-(phenylmethyl)-; BW-467-C-60; 55-73-2; 1-Benzyl-2,3-dimethylguanidine sulfate (1:1/2) |
C10H15N3 |
177.25 |
CNC(=NC)NCC1=CC=CC=C1 |
|
TCMBANKIN024032 |
β-lonene |
|
|
174.31 |
|
|
TCMBANKIN024249 |
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene |
|
|
280.39 |
|
|
TCMBANKIN024482 |
meliotine |
NCI-C55890; melilotol; 3,4-dihydro-2H-chromen-2-one; 2H-1-benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-1-benzopyran-2-one; 1341-36-2; 2H-1-Benzopyran-2-one, 3, 4-dihydro-; COUMARIN,3,4-DIHYDRO; o-hydroxyhydrocinnamic acid delta-lactone; 5-17-10-00013 (Beilstein Handbook Reference); HSDB 4333; 2-chromanone; CHEBI:16151; melilotic lactone; c0397; WLN: T66 BOVT & J; EINECS 204-354-9; W238104_ALDRICH; NSC10121; Hydroxydihydrocinnamic acid lactone, o-; Melilotine; o-hydroxydihydrocinnamic acid lactone; Benzopyranone, dihydro-; 119-84-6; D104809_ALDRICH; 3,4-dihydrocoumarin; NCGC00091491-01; DIHYDROCOUMARIN; o-hydroxyhydrocinnamic acid lactone; AIDS124064; Usaf do-12; O-Hydroxycinnamic acid; FEMA No. 2381; Coumarin, 3,4-dihydro-; Chroman, 2-oxo-; melilotin; AIDS-124064; hydrocinnamic acid, o-hydroxy-,lactone; 3,4-Dihydro-2H-1-benzopyran-2-one; chroman-2-one; Dihydrobenzopyrone; C02274; Hydrocinnamic acid, o-hydroxy-, .delta.-lactone; NCI60_000035; 1,2-benzodihydropyrone; ST5308259; AI3-03425; Melilotic acid lactone; NSC 10121; Hydrocinnamic acid, o-hydroxy-, delta-lactone; Benzodihydropyrone; CCRIS 5803; BRN 0004584; InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H; hydrocoumarin; 2-Hydroxydihydrocinnamic acid lactone; Oxochroman; 3,4-Dyhydrocoumarin |
C9H8O2 |
148.16 |
C1CC(=O)OC2=CC=CC=C21 |
|
TCMBANKIN024501 |
1,4,6-trimethyl-1,2,3,4-tetralin |
|
|
174.31 |
|
|
TCMBANKIN024532 |
(S)-Cheilanthifoline |
(6aS)-9-methoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-8-ol; C05174; CHEBI:16233; 483-44-3; (6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol |
C19H19NO4 |
325.36 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)O |
|
TCMBANKIN024559 |
9-hydroxythymol |
|
C10H14O2 |
166.22 g/mol |
CC1=CC(=C(C=C1)C(C)CO)O |
|
TCMBANKIN024944 |
isoyatein |
|
C22H24O7 |
400.42 |
COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN025335 |
BDMA |
Araldite accelerator 062; 28262-13-7; N,N-Dimethyl-N-benzylamine; Benzylamine, N,N-dimethyl-; InChI=1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H; Sumine 2015; 185582_ALDRICH; N-Benzyldimethylamine; 103-83-3; EINECS 203-149-1; UN2619; Benzenemethanamine,dimethyl-; Benzenemethanamine, dimethyl-; NCGC00090991-01; N,N-dimethyl-1-phenylmethanamine; Dimethylbenzylamine; Benzenemethanamine, N,N-dimethyl-; N,N'-Dimethylbenzylamine; 13365_FLUKA; N,N-Dimethylbenzenemethanamine; 59125-51-8; N-Benzyl-N,N-dimethylamine; Benzyldimethylamine [UN2619] [Corrosive]; N,N-dimethyl-1-phenyl-methanamine; NSC5342; N,N-Dimethylbenzylamine; NSC 5342; WLN: 1N1 & 1R; benzyl-dimethyl-amine; AI3-26794; Benzyl-N,N-dimethylamine; Benzyldimethylamine; CCRIS 6693; N-(Phenylmethyl)dimethylamine |
C9H13N |
135.21 |
CN(C)CC1=CC=CC=C1 |
|
TCMBANKIN025420 |
codeine |
Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-; HSDB 3043; O(3)-methylmorphine; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-; 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol; C06174; l-Codeine; CCRIS 7555; Morphine monomethyl ether; C1653_SIGMA; Methylmorphine; Codeine; CHEBI:16714; 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol; (5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- (8CI); Coducept; Norcodeine, N-methyl; 76-57-3; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- (9CI); Codicept; Morphine-3-methyl ester; Codeine anhydrous; O3-Methylmorphine; EINECS 200-969-1; Morphine 3-methyl ether; Norcodine, N-methyl; Codein; Morphine-3-methyl ether; STOCK1N-42851; (-)-Codeine; Codeine solution; BB_NC-0138; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- (9CI); 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; C5901_SIGMA; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- |
C18H21NO3 |
299.36 |
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
|
TCMBANKIN025532 |
methyl 2-pentanoylbenzoate |
2-valerylbenzoic acid methyl ester; 2-(1-oxopentyl)benzoic acid methyl ester |
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN025853 |
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,6-diol |
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
C18H18O2 |
266.3 g/mol |
CC1=CC2=C(C3=C(CC2)C(=C(C=C3)O)C)C(=C1O)C=C |
|
TCMBANKIN025926 |
7, 8-dihydroxy-4,5-dimethyl-3,4-dihydronaphthalen-1( 2H ) -one |
|
C15H22O |
218.33 |
CC1CCC(=O)C2=C1C(=CC(=C2O)O)C |
|
TCMBANKIN026109 |
(3S)-3-butyl-3H-isobenzofuran-1-one |
(3S)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN026131 |
Miltirone |
Rosmariquinone; CHEBI:34851; FEFAIBOZOKSLJR-UHFFFAOYSA-N; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthrenedione; 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; Miltiron; NSC-639662; 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; CJ-24294; SCHEMBL13568178; AC1L4N45; AC1Q6N8T; DTXSID20181683; 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; AKOS015909796; AK554013; 20-Nor-5,7,9,13-abietatetraene-11,12-dione; C13715; D02UOE; 8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione; MolPort-027-720-891; API0026123; NSC 639662; CHEMBL45830; 27210-57-7; Y0137; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI; AIDS136736; BDBM50009219; AIDS-136736; Ambap27210-57-7; ZINC1537184; FT-0628947; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone; CTK4F9266; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-quinone; NSC639662; I14-31842; NCI60_013161; miltirone; 2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione |
C19H22O2 |
282.38 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
|
TCMBANKIN026233 |
isobutyl benzoate |
AK487001; Benzoic acid, isobutyl ester (6CI,7CI,8CI); B0072; SCHEMBL298176; UNII-KQ6XZ9WJII; 2-Methylpropyl benzoate; M581; AKOS015889452; benzoic acid isobutyl ester; ZINC00406974; DSSTox_RID_82088; Isobutyl benzoate; ST50406096; AC1L1UFL; CTK3J3927; iso-butyl benzoate; Benzoic acid isobutyl; FEMA No. 2185; DSSTox_GSID_47074; benzoic acid, 2,2-dimethylethyl ester; NCGC00256173-01; ZB013717; ST5406096; EINECS 204-401-3; FT-0622711; J-004354; 120-50-3; AI3-01267; NSC 6580; NSC-6580; ACMC-1C82F; DB-041561; RT-001775; MFCD00048344; Benzoic acid, isobutyl ester; Isobutyl benzoate, >=98%; Benzoic acid, 2-methylpropyl ester; CHEBI:87500; Isobutyl benzoate (natural); KQ6XZ9WJII; ANW-17508; C-50487; Tox21_302327; 195715_ALDRICH; W218502_ALDRICH; ISOBUTYLBENZOATE; I01-18221; NSC6580; 2-Methylpropyl Ester Benzoic Acid; CAS-120-50-3; DSSTox_CID_27074; Isobutyl benzoate, 99%; FEMA 2185; AN-22824; BENZOIC ACID, 2-METHYLPROPYL ESTER; KYZHGEFMXZOSJN-UHFFFAOYSA-N; LS-2848; Benzoic Acid Isobutyl Ester; BENZOIC ACID 2-METHYLPROPYL ESTER; BRN 2045961; CHEMBL2260714; DTXSID6047074; ZINC406974 |
C11H14O2 |
178.23 |
CC(C)COC(=O)C1=CC=CC=C1 |
|
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 |
|
|
TCMBANKIN026824 |
CREBANINE |
NSC335648; NCI60_002939; Crebanine |
C20H21NO4 |
339.39 |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
|
TCMBANKIN026843 |
3-phenylhexane |
|
C12H18 |
162.27 |
CCCC(CC)C1=CC=CC=C1 |
|
TCMBANKIN026918 |
coryincine |
|
|
354.49 |
|
|
TCMBANKIN027040 |
anisodamine |
BC209832; AKOS015962158; Anisodamine |
C17H23NO4 |
305.37 |
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
|
TCMBANKIN027224 |
erysodienone |
|
C18H19NO4 |
313.35 |
COC1=C(C=C2CCN3CCC4=CC(=O)C(=CC43C2=C1)OC)O |
|
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 |
|
TCMBANKIN027569 |
COLUBRINE, BETA |
2-Methoxystrychnine; NSC72862; Strychnine, 2-methoxy-; .beta.-Colubrine; 2-Methoxy strychnine; NCI60_041585; Strychnidin-10-one, 2-methoxy-; 509-36-4 |
C22H24N2O3 |
364.44 |
COC1=CC2=C(C=C1)N3C4C25CCN6C5CC7C4C(CC3=O)OCC=C7C6 |
|
TCMBANKIN027718 |
MHP |
m-hydroxyphenylpropionate; 3-HYDROXYPHENYL-PROPIONATE; 4-10-00-00630 (Beilstein Handbook Reference); AI3-32395; Dihydro-3-coumaric acid; NSC 33135; Benzenepropanoic acid, 3-hydroxy- (9CI); Hydrocinnamic acid, m-hydroxy-; .beta.-(3-Hydroxyphenyl)propionic acid; m-hydroxyphenylpropionic acid; 3-(3-hydroxyphenyl)propionic acid; 3-(3-hydroxyphenyl)propanoic acid; 3HPP; NSC 39468; Benzenepropanoic acid, 3-hydroxy-; BRN 1947445; NSC33135; .beta.-(m-Hydroxyphenyl)propionic acid; beta-(3-Hydroxyphenyl)propionic acid; 3-Hydroxybenzenepropanoic acid; C11457; 3-(3-hydroxyphenyl)propionate; 3-(3-Hydroxy-phenyl)-propanoic acid; NSC39468; beta-(m-Hydroxyphenyl)propionic acid; 621-54-5; CHEBI:1427; 3-(m-Hydroxyphenyl)propionic acid; EINECS 210-692-8; ST5407837; InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12; 3-Hydroxyphenylpropanoate; 3-Hydroxyphenylpropionic acid |
C9H10O3 |
166.17 |
C1=CC(=CC(=C1)O)CCC(=O)O |
|
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 |
|
TCMBANKIN027985 |
dehydroabietan |
|
C20H30 |
270.45 |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C |
|
TCMBANKIN028071 |
ZINC03996196 |
(1R,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan |
C22H26O6 |
386.44 |
|
|
TCMBANKIN028288 |
morphine |
(5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol; 7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol; RMS; Hard stuff; Morpho; Cube juice; 47106-99-0; EINECS 200-320-2; 64-31-3 (SULFATE); (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; (-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Morphin; Nepenthe; Roxanol; (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL; CCRIS 5762; AIDS-001987; Moscontin; Statex SR; Unkie; Morphia; Morphina [Italian]; M-Eslon; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-; Morphinum; Ms Emma; 4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol; (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Dolcontin; 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-; Morphinism; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)-; MORPHINE, (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL, MORPHIUM, MORPHIA, DOLCONTIN, DUROMORPH, MORPHINA, NEPENTHE; 57-27-2 (FREE BASE ); (-)-Morphine; Dulcontin; 8053-16-5; Meconium; (-)Morphine sulfate; Ospalivina; NSC11441(SULFATE); Morphium; Morphin [German]; l-Morphine; 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-; Dreamer; HSDB 2134; Hocus; 85201-37-2; AIDS001987; 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol; DEA No. 9300; Duromorph; Morfina [Italian]; Morphina; Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-; MOI; CHEBI:17303 |
C17H19NO3 |
285.34 |
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O |
|
TCMBANKIN028329 |
(2S,12bR)-methyl 2-((E)-1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate |
|
|
350.45 |
|
|
TCMBANKIN028456 |
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol |
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,3-diol |
|
266.36 |
|
|
TCMBANKIN028593 |
LOF |
ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID; (S)-(−)-3-Phenyllactic acid; LLA; 3-PHENYL-LACTIC ACID; (2S)-2-hydroxy-3-phenyl-propionic acid; L-3-Phenyllactic acid; CHEBI:43065; 113069_ALDRICH; (S)-3-phenyllactic acid; L-2-HYDROXY-3-PHENYL-PROPIONIC ACID; L−(−)-3-Phenyllactic acid; (S)-2-Hydroxy-3-phenylpropionic acid; (2S)-2-hydroxy-3-phenyl-propanoic acid; (2S)-2-hydroxy-3-phenylpropanoic acid |
C9H10O3 |
166.17 |
C1=CC=C(C=C1)CC(C(=O)O)O |
|
TCMBANKIN028634 |
arjunetin_qt |
2α,3β,19α-trihydroxyolean-12-en-28-oic acid |
|
488.78 |
|
|
TCMBANKIN028666 |
Methyl 4-hydroxyphenylacetate |
224502_ALDRICH; AI3-36062; methyl 2-(4-hydroxyphenyl)acetate; 2-(4-hydroxyphenyl)acetic acid methyl ester; methyl 2-(4-hydroxyphenyl)ethanoate; ST5406479; Benzeneacetic acid, 4-hydroxy-, methyl ester; Acetic acid, (p-hydroxyphenyl)-, methyl ester; ZINC00395674; 56145_FLUKA; EINECS 238-050-2; 14199-15-6 |
C9H10O3 |
166.17 |
COC(=O)CC1=CC=C(C=C1)O |
|
TCMBANKIN028667 |
12-Methoxy-6,8,11,13-abietatraen-11-ol |
12-methoxy-6,8,11,13-abietatraen-11-ol |
|
314.51 |
CC(C)C1=C(C(=C2C(=C1)C=CC3C2(CCCC3(C)C)C)O)OC |
|
TCMBANKIN028671 |
Litsoeine |
NSC 106610; 6a-alpha-NORAPORPHIN-9-OL, 1,2,10-TRIMETHOXY-; 6aalpha-Noraporphin-9-ol, 1,2,10-trimethoxy- (8CI); 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-; 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)- (9CI); Laurotetanin; Laurotetanine; 128-76-7; 1,2,10-Trimethoxy-6a-alpha-noraporphin-6-ol |
C19H21NO4 |
327.37 |
COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC |
|
TCMBANKIN028877 |
Vasodil |
Phenylmethylimidazoline; 2-Imidazoline, 2-benzyl-; 293490_ALDRICH; AIDS018851; KBioGR_000793; Lambril; 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI); SPBio_002140; Prestwick3_000060; 59-98-3 (FREE BASE); 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole; Olitensol; Prefaxil; Artonil; Prestwick0_000060; 59-97-2 (HCL); Spectrum5_001788; BRN 0128757; 2-(benzyl)-4,5-dihydro-1H-imidazole; Priscol; Spectrum4_000357; Benzidazol; Prestwick1_000060; Tolazolina [INN-Spanish]; SBB003964; 5-23-06-00488 (Beilstein Handbook Reference); KBio2_006347; C07147; 59-98-3; KBio1_000328; DivK1c_000328; Benzolin; Spectrum2_001204; 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-; CAS-59-97-2; EINECS 200-448-9; Tolazolinum [INN-Latin]; CHEBI:28502; KBioSS_001211; Benzolin (vasodilator); 2-Benzyl-4,5-imidazoline; Benzazoline; NSC 35110; NINDS_000328; BSPBio_002068; BSPBio_000219; Vasimid; Kasimid; 2-(phenylmethyl)-4,5-dihydro-1H-imidazole; Benzylimidazoline; IDI1_000328; Peripherine; Benzolin (VAN); WLN: T5M CN BUTJ B1R; KBio3_001568; BPBio1_000241; Divascol; Spectrum_000731; AIDS-018851; NSC35110; NCGC00016271-01; Prestwick2_000060; 2-Benzylimidazoline; Dilatol ASI; Imidalin; Spectrum3_000594; Vasodilatan; SPBio_000988; Ciba 3259; Tolazolin; KBio2_003779; Benzolin (vasodilator) (VAN); KBio2_001211; Tolazoline; 2-Benzyl-2-imidazoline |
C10H12N2 |
160.22 |
C1CN=C(N1)CC2=CC=CC=C2 |
|
TCMBANKIN029021 |
PTBP |
425761_ALDRICH; Ucar butylphenol 4-T flake; Phenol, p-tert-butyl-; C14200; 506761_SUPELCO; Phenol, 4-(1,1-dimethylethyl)-; Phenol, p-(tert-butyl)-; InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H; NCGC00159377-03; 98-54-4; p-terc.Butylfenol; p-t-Butyl phenol; WLN: QR DX1 & 1 & 1; AI3-00126; NSC3697; 4-(1,1-Dimethylethyl)phenol; 4-t-Butylphenol; EPA Pesticide Chemical Code 064113; 4-(T-BUTYL)PHENOL; W391808_ALDRICH; 1-Hydroxy-4-tert-butylbenzene; Butylphen; p-tert-Butylphenol; EINECS 202-679-0; Ucar butylphenol 4-T; Caswell No. 130E; NCGC00159377-02; NSC 3697; B99901_ALDRICH; 4-tert-Butylphenol; p-terc.Butylfenol [Czech]; CHEBI:34444 |
C10H14O |
150.22 |
CC(C)(C)C1=CC=C(C=C1)O |
|
TCMBANKIN029097 |
(R)-Reticuline |
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (-)-reticuline; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 3968-19-2; (1R)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C05178; CHEBI:17428; (1R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol |
C19H23NO4 |
329.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN029144 |
adrenaline(i) |
|
C9H13NO3 |
|
CNCC(C1=CC(=C(C=C1)O)O)O |
|
TCMBANKIN029443 |
Ethyl anisate |
AI3-00648; NSC4160; FEMA No. 2420; 4-10-00-00368 (Beilstein Handbook Reference); W242004_ALDRICH; 4-methoxybenzoic acid ethyl ester; BRN 2209700; Ethyl p-methoxybenzoate; Benzoic acid, 4-methoxy-, ethyl ester; EINECS 202-320-8; NSC 4160; 94-30-4; Ethyl p-anisate; Ethyl 4-methoxybenzoate; ZINC01673031; Benzoic acid, p-methoxy-, ethyl ester; ST5405148; p-Anisic acid, ethyl ester; WLN: 2OVR DO1; InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H |
C10H12O3 |
180.2 |
CCOC(=O)C1=CC=C(C=C1)OC |
|
TCMBANKIN029537 |
N-Methyl-L-phenylalanine hydrochloride |
02452_FLUKA |
C10H13NO2 |
179.22 |
CNC(CC1=CC=CC=C1)C(=O)O.Cl |
|
TCMBANKIN029552 |
stephanthrine |
Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-; 22108-99-2; ChemDiv3_003111; Stephanthrine; N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine; AKOS001648896; (2-{14,16-DIOXATETRACYCLO[8.7.0.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2,4,6,8,10,12-HEPTAEN-11-YL}ETHYL)DIMETHYLAMINE; Oprea1_105893; N,N-dimethyl-2-(5-naphtho[2,1-g][1,3]benzodioxolyl)ethanamine;hydrochloride; A25312; AC1Q6ZV4; Oprea1_353681; BAS 02913228; MLS001207641; BRD-K06143692-003-01-4; US9211296, Table 7, Compd: 10; cid_24746882; dimethyl(2-naphtho[2,1-g][1,3]benzodioxol-5-ylethyl)amine;hydrochloride; NCGC00160247-01!STEPHENANTHRINE; SMR000517938; CHEBI:132896; N,N-dimethyl-2-(2H-phenanthro[3,4-d][1,3]dioxol-5-yl)ethan-1-amine; stephenanthrine; CHEMBL492418; BDBM69679; HMS1481N09; N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine;hydrochloride; AC1L4PBJ; Dimethyl-(2-phenanthro[3,4-d][1,3]dioxol-5-yl-ethyl)-amine; NCGC00160247-01; N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-yl-ethanamine;hydrochloride; SCHEMBL10726686 |
C19H19NO2 |
293.4 g/mol |
CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2 |
|
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 |
|
TCMBANKIN029686 |
Armepavine |
TimTec1_005225; AC1LE4QO; CHEMBL1186477; armepavine; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol; UNII-8A0GW472W3 component ZBKFZIUKXTWQTP-KRWDZBQOSA-N; 14400-96-5; LS-193195; ZINC44853; Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-, (S)-; UNII-28W0AOI5PG; 524-20-9; Phenol, 4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-; (+)-Armepavine; 1alphaH-Armepavine; Armepavine, (+)-; STOCK1N-04340; L-(+)-Armepavine; 28W0AOI5PG; 4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]methyl]phenol; C09342; S-(+)-Armepavine; 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
C19H23NO3 |
313.39 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
|
TCMBANKIN029766 |
p-tert-Butylanisole |
EINECS 226-412-2; NSC 1266; Anisole, p-tert-butyl-; 1-tert-butyl-4-methoxy-benzene; 1-tert-butyl-4-methoxybenzene; Benzene, 1-(1,1-dimethylethyl)-4-methoxy-; 4-tert-Butylanisole; NSC1266; 4-tert-Butylphenyl methyl ether; ZINC01589907; AI3-03091; 565830_ALDRICH; Anisole, p-tert-butyl- (8CI); 4-Methoxy-tert-butylbenzene; InChI=1/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H; 5396-38-3; ST5405671; p-Methoxy-tert-butylbenzene |
C11H16O |
164.24 |
CC(C)(C)C1=CC=C(C=C1)OC |
|
TCMBANKIN029800 |
Methylbenzylideneacetone |
EINECS 217-599-1; (E)-3-methyl-4-phenylbut-3-en-2-one; alpha-Methyl-alpha-benzalacetone; NSC 46888; 1-Methyl-1-benzylidene-acetone; 3-METHYL-4-PHENYL-3-BUTEN-2-ONE; 42968-14-9; (E)-3-methyl-4-phenyl-but-3-en-2-one; Methyl alpha-methylstyryl ketone; BRN 0774487; 2-07-00-00298 (Beilstein Handbook Reference); 4-Phenyl-3-methyl-3-buten-2-one; 3-methyl-4-phenylbut-3-en-2-one; Benzylidene methyl ethyl ketone; 3-Benzylidene-2-butenone; 3-methyl-4-phenyl-but-3-en-2-one; FEMA No. 2734; NSC167115 |
C11H12O |
160.21 |
CC(=CC1=CC=CC=C1)C(=O)C |
|
TCMBANKIN029807 |
magnofl,orinea |
|
|
356.48 |
|
|
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 |
|
TCMBANKIN029879 |
Cavidine |
32728-75-9; 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine |
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
TCMBANKIN029983 |
tetrahydroprotopapaverine |
|
C19H23NO4 |
329.39 |
|
|
TCMBANKIN030112 |
Triptonoterpene |
AC1NT19C; triptonoterpene; 8-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
C20H28O2 |
300.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)(C)C)C)O |
|
TCMBANKIN030162 |
caryophellene |
cis-4,11,11-trimethyl-8-methylene-bicyclo[7,2,0]-undec-4-ene |
C15H24 |
204.35 |
|
|
TCMBANKIN030238 |
isomer-of-magnofl,orine |
|
|
356.48 |
|
|
TCMBANKIN030374 |
isostyracin epoxide |
|
C18H16O3 |
280.32 |
|
|
TCMBANKIN030621 |
(2R)-2-amino-3-(4-aminophenyl)propionic acid |
(2R)-2-amino-3-(4-aminophenyl)propanoic acid |
C9H12N2O2 |
180.2 |
C1=CC(=CC=C1CC(C(=O)O)N)N |
|
TCMBANKIN030674 |
Labdanol |
WLN: 1Y1&1OV1U1R; Isobutyl cinnamate; 2-Methylpropyl 3-phenylpropenoate; NSC 404181; 2-methylpropyl (E)-3-phenylprop-2-enoate; 2-Methylpropyl beta-phenylacrylate; 122-67-8; 2-methylpropyl 3-phenylprop-2-enoate; 537152_ALDRICH; NSC404181; AI3-02384; Isobutyl 3-phenylpropenoate; Isobutyl beta-phenylacrylate; (E)-3-phenylacrylic acid isobutyl ester; ZINC00270595; CINNAMIC ACID, ISOBUTYL ESTER; 2-Methylpropyl 3-phenyl-2-propenoate; 3-phenylacrylic acid isobutyl ester; (E)-3-phenylprop-2-enoic acid isobutyl ester; 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester; isobutyl (E)-3-phenylprop-2-enoate; FEMA No. 2193; CBDivE_001758; W219304_ALDRICH; EINECS 204-564-0; 3-phenylprop-2-enoic acid isobutyl ester; isobutyl 3-phenylprop-2-enoate; 2-Methylpropyl cinnamate |
C13H16O2 |
204.26 |
CC(C)COC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN030927 |
7-hydroxy-5,8-dimethoxy-2-phenyl-chromone |
7-hydroxy-5,8-dimethoxy-2-phenylchromen-4-one; 7-hydroxy-5,8-dimethoxy-2-phenyl-4-chromenone; 7-hydroxy-5,8-dimethoxy-2-phenyl-chromen-4-one |
|
298.31 |
|
|
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 |
|
TCMBANKIN031009 |
1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
InChI=1/C16H16O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h5-8,17-18H,3-4H2,1-2H |
C16H16O2 |
240.3 g/mol |
CC1=CC2=C(C=C1O)C3=C(CC2)C(=C(C=C3)O)C |
|
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 |
|
TCMBANKIN031236 |
Peraksine |
peraksine |
C19H22N2O2 |
310.39 |
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O |
|
TCMBANKIN031239 |
3,3-Dimethyl allyl-p-propenyl phenyl ether |
1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #; 1-(3-methylbut-2-enoxy)-4-prop-1-enyl-benzene; Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-; UNII-QO3391G00A; Foeniculin, (E)-; (E)-Foeniculin; 1-(3-Methyl-2-butenyloxy)-4-(1-propenyl)benzene; 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene; DTXSID20228921; 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene; 78259-41-3; QO3391G00A; JGELFJUQMIUNOO-SNAWJCMRSA-N; 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene; 3,3-dimethyl allyl-p-propenyl phenyl ether; AC1NSUUD |
C14H18O |
202.29 g/mol |
CC=CC1=CC=C(C=C1)OCC=C(C)C |
|
TCMBANKIN031627 |
S-trans-N-methyltetrahydrocolumbamine |
|
|
356.48 |
|
|
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 |
|
TCMBANKIN031702 |
M-COUMARIC ACID |
2-propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-; m-coumaricacid; 3-(3-hydroxyphenyl)acrylic acid; CINNAMIC ACID,3-HYDROXY (TRANS); 2-Propenoic acid, 3-(3-hydroxyphenyl)-; 588-30-7; NSC50308; 3-(3-hydroxyphenyl)prop-2-enoic acid; (2E)-3-(3-hydroxyphenyl)acrylic acid; NSC 50308; 3-Coumaric acid; (E)-3-(3-hydroxyphenyl)acrylic acid; Cinnamic acid, m-hydroxy-; (E)-3-(3-Hydroxyphenyl)-2-propenoic acid; C12621; H23007_ALDRICH; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid; 3-Hydroxycinnamic acid; 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-; trans-3-Hydroxycinnamic acid; EINECS 209-615-0; m-Hydroxycinnamic acid; trans-3-Hydroxycinnamate; NSC 28956; 28180_FLUKA; NSC28956; InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12; m-coumaric acid; AI3-32389; 2-Propenoic acid, 3-(3-hydroxyphenyl)- (9CI) |
C9H8O3 |
164.16 |
C1=CC(=CC(=C1)O)C=CC(=O)O |
|
TCMBANKIN031931 |
2,3-dihydropyrrolo,[2,1-b],quinazolin-9(1h)-one |
|
|
186.23 |
|
|
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 |
|
TCMBANKIN032077 |
Erythroculine |
erythroculine; AC1NSV8C; methyl 2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate |
C20H25NO4 |
343.42 |
COC1CC=C2CCN3C2(C1)C4=C(CC3)C=C(C(=C4)C(=O)OC)OC |
|
TCMBANKIN032183 |
Gentianidine |
CHEMBL2007415; AIDS132749; AKOS006327911; 6-Methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; NSC627383; 1H-Pyrano[3,4-c]pyridin-1-one,3,4-dihydro-6-methyl-; 6-methyl-3,4-dihydropyrano[4,3-d]pyridin-1-one; AIDS-132749; AC1Q6HRN; 2202/12/2; AC1L7LLL; 2202-12-2; ZINC1618969; FT-0730301; 6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; NCI60_008704; DTXSID90176485; SCHEMBL4075386; NSC-627383; 35G857GZ2P; gentianidine; 6-Methyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; UNII-35G857GZ2P; 1H-Pyrano(3,4-c)pyridin-1-one, 3,4-dihydro-6-methyl-; CTK4E8297 |
C9H9NO2 |
163.17 g/mol |
CC1=CC2=C(C=N1)C(=O)OCC2 |
|
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 |
|
TCMBANKIN032552 |
N,O,O-trimethylsparsiflorine |
|
C20H23NO3 |
325.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)OC)OC)OC |
|
TCMBANKIN032659 |
(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol |
AO-079/15259072; MLS001178744; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-ol; ZINC03197613; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-chromanol; SMR000477468 |
C19H22O6 |
346.37 |
COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC |
|
TCMBANKIN032919 |
butyl-2-ethylhexyl phthalate |
|
C20H30O4 |
334.45 |
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN032944 |
N-methyllaurotetanine |
n-methyllaurotetanine |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC |
|
TCMBANKIN033042 |
kakkatin |
|
C16H12O5 |
284.26 |
COC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN033093 |
dihydroisotanshinoneⅠ |
|
278.32 |
20.912695 |
|
|
TCMBANKIN033292 |
3-(2-propenyl)-cyclooctene |
|
C11H18 |
150.26 |
C=CCC1CCCCCC=C1 |
|
TCMBANKIN033482 |
Quinicine |
quinicine |
C20H24N2O2 |
324.4 g/mol |
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
|
TCMBANKIN033565 |
Flavidin |
5H-Phenanthro(4,5-bcd)pyran-2,7-diol, 9,10-dihydro-; C10258; flavidin; 83924-98-5 |
C15H12O3 |
240.25 |
C1CC2=C3C(=CC(=C2)O)OCC4=CC(=CC1=C43)O |
|
TCMBANKIN033625 |
2,4,6-Trimethylanisole |
2-methoxy-1,3,5-trimethylbenzene; 2-methoxy-1,3,5-trimethyl-benzene; Benzene, 2-methoxy-1,3,5-trimethyl-; Anisole, 2,4,6-trimethyl-; 4028-66-4; ZINC02598023 |
C10H14O |
150.22 |
CC1=CC(=C(C(=C1)C)OC)C |
|
TCMBANKIN033885 |
Chrysin-5-methylether |
7-hydroxy-5-methoxy-2-phenyl-chromen-4-one; 33554-47-1; 7-hydroxy-5-methoxy-2-phenyl-chromone; 7-hydroxy-5-methoxy-2-phenylchromen-4-one; 7-hydroxy-5-methoxy-2-phenyl-4-chromenone |
C16H12O4 |
268.26 |
COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3)O |
|
TCMBANKIN033980 |
Levamfetamine |
Levamfetamina [DCIT]; Levamphetamine; [(1R)-1-methyl-2-phenyl-ethyl]amine; CHEBI:42724; (R)-alpha-Methylbenzeneethanamine; PDSP2_001494; (R)-Amphetamine; EINECS 205-850-8; (2R)-1-phenylpropan-2-amine; L-Amphetamine; Phenethylamine, alpha-methyl-, (-)-; (-)-Phenylisopropylamine; Levamphetaminum; l-(R)-Amphetamine; Levamfetaminum [INN-Latin]; Benzeneethanamine, alpha-methyl-, (R)- (9CI); (R)-alpha-Methylphenethylamine; l-alpha-Methylphenethylamine; Levanfetamina [INN-Spanish]; PDSP1_001510; (-)-alpha-Methylphenethylamine; (-)-Amphetamine; 156-34-3 |
C9H13N |
135.21 |
CC(CC1=CC=CC=C1)N |
|
TCMBANKIN034116 |
[(1S,3S,5S,7S)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate |
[(1S,3S,5S,7S)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate; (2S)-3-hydroxy-2-phenyl-propionic acid [(1S,3S,5S,7S)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; (2S)-3-hydroxy-2-phenylpropanoic acid [(1S,3S,5S,7S)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester |
C17H23NO4 |
305.37 |
|
|
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 |
|
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 |
|
TCMBANKIN034575 |
Inermin |
C16229; (+)-Maackiain; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, cis-(+-)-; 38822-02-5; 6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol; 19908-48-6 |
C16H12O5 |
284.26 |
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
|
TCMBANKIN034667 |
(-)-Tabernemontanine |
|
C21H26N2O3 |
354.44 |
CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
|
TCMBANKIN034704 |
Benethamine |
NSC62943; 3647-71-0; ZERO/001789; 261742_ALDRICH; N-Benzylphenethylamine; N-Benzyl-2-phenethylamine; TimTec1_003019; benzyl-(2-phenylethyl)amine; N-Benzyl-2-phenylethylamine; EINECS 222-882-8; Benzeneethanamine, N-(phenylmethyl)-; 2-phenyl-N-(phenylmethyl)ethanamine |
C15H17N |
211.3 |
C1=CC=C(C=C1)CCNCC2=CC=CC=C2 |
|
TCMBANKIN034768 |
isocorynantheic acid |
|
|
352.47 |
|
|
TCMBANKIN034809 |
apohyoscine |
aposcopolamine |
C17H19NO3 |
285.34 |
CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
|
TCMBANKIN034837 |
corycavine |
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one; BG01348418; NSC123402; BRD-A25851298-001-01-3; NSC 123402; C-54667; WOLWLEQYUFDNTA-UHFFFAOYSA-N; 521-87-9; NCI60_000225; AC1Q6P90; Ambap521-85-7; 7,16-Dimethyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (R)-; Corycavamine, (+/-)-; 2,15-DIMETHYL-7,9,19,21-TETRAOXA-15-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(2)]TETRACOSA-1(24),4,6(10),11,17,22-HEXAEN-3-ONE; AKOS000277068; ACon1_002262; ACM521857; NSC-123402; CORYCAVINE; Dibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-; AC1L5J6U; 7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one # |
C21H21NO5 |
367.4 |
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5 |
|
TCMBANKIN034873 |
Methyl 2-ethylhexyl phthalate |
|
C17H24O4 |
292.37 |
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN034931 |
Narcotoline |
3-(4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one; 6-Methyl-4-hydroxy-5,6,7,8-tetrahydro-5-(3-oxo-4,5-dimethoxy-1,3-dihydroisobenzofuran-1-yl)-1,3-dioxolo[4,5-g]isoquinoline; AC1MRPAC; narcotoline |
C21H21NO7 |
399.39 |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
|
TCMBANKIN035221 |
4-((1-ethoxy-2-hydroxy)ethyl)phenol |
|
|
182.24 |
|
|
TCMBANKIN035273 |
coriandrone A |
|
C16H20O5 |
292.33 |
CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC |
|
TCMBANKIN035353 |
N-Methylhomoveratrylamine |
NSC 187772; 2-(3,4-dimethoxyphenyl)-N-methylethanamine; BB_SC-2885; 2-(3,4-dimethoxyphenyl)ethyl-methyl-amine; EINECS 222-483-9; MLS000516034; 3,4-Dimethoxy-N-methylphenethylamine; 3490-06-0; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; AE-641/00586031; Benzeneethanamine, 3,4-dimethoxy-N-methyl-; NSC187772; SMR000112502; 334774_ALDRICH |
C11H17NO2 |
195.26 |
CNCCC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN035469 |
Stearate |
|
C18H35O2- |
283.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)[O-] |
|
TCMBANKIN035483 |
(1R)-6,7-dimethoxy-1-(4-methoxybenzyl)-2-methyl-3,4-dihydro-1H-isoquinoline |
(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline; Oprea1_382771 |
C20H25NO3 |
327.42 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC |
|
TCMBANKIN035576 |
ZINC00407077 |
|
C9H14N2O |
166.22 |
|
|
TCMBANKIN035845 |
methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate |
(E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-methoxy-acrylic acid methyl ester; methyl (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxy-prop-2-enoate; (E)-2-[(2S,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoic acid methyl ester |
|
366.5 |
|
|
TCMBANKIN035901 |
16-epi-Isositsirikine |
NSC 282700; 17,18-Secoyohimban-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16S,19E)- (8CI); (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-2-yl]-3-hydroxy-propionic acid methyl ester; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoate; methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxy-propanoate; NSC 338932; (2R)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[3,2-h]quinolizin-2-yl]-3-hydroxypropanoic acid methyl ester; Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester, (16R,19E)- (9CI) |
C21H26N2O3 |
354.4 g/mol |
CC=C1CN2CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN035959 |
Isobutyrophenone |
AI3-11204; 1-Propanone, 2-methyl-1-phenyl-; ZINC01693601; Phenyl isopropyl ketone; 611-70-1; alpha-Methylpropiophenone; 130362_ALDRICH; NSC6552; InChI=1/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H; 59730_FLUKA; Isopropyl phenyl keton; 2-methyl-1-phenyl-propan-1-one; Isobutyrylbenzene; 2-Methylpropiophenone; Isopropyl phenyl ketone; NSC 6552; 2-Methyl-1-phenyl-1-propanone; .alpha.-Methylpropiophenone; 2-methyl-1-phenylpropan-1-one; EINECS 210-275-0 |
C10H12O |
148.2 |
CC(C)C(=O)C1=CC=CC=C1 |
|
TCMBANKIN036006 |
1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene |
|
|
272.37 |
|
|
TCMBANKIN036352 |
salviolone |
|
C18H20O2 |
268.35 |
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
|
TCMBANKIN036358 |
7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene |
|
|
256.32 |
|
|
TCMBANKIN036395 |
1,8-dimethyl-4-vinyl-9,10-dihydrophenanthrene-2,7-diol |
4-ethenyl-1,8-dimethyl-9,10-dihydrophenanthrene-2,7-diol |
|
266.36 |
|
|
TCMBANKIN036806 |
cannabinol |
521-35-7; NINDS_000972; Cannabinolum [INN-Latin]; Tox21_113486; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran; NCGC00168261-01; Cannabinol [BAN:INN]; Cannabinol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol; DSSTox_RID_83188; CAS-521-35-7; CHEBI:3360; Cannabinol [INN:BAN]; cannabinol; Cannabinolum; C07580; Cannabinol (6CI); Cannabinol, analytical standard; Cannabinol solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI); D0U5LL; CHEMBL74415; KBio1_000972; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol. Product derived from Cannabis sativa; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol #; 6H-Dibenzo[b, 6,6,9-trimethyl-3-pentyl-; HMS503C05; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol; 5-17-04-00567 (Beilstein Handbook Reference); IDI1_000972; Cannabinol solution; ZINC1530833; C6520_SIGMA; DSSTox_CID_28922; C6888_SIGMA; NSC 134455; WLN: T B666 HO IHJ CQ E5 I1 I1 M1; DivK1c_000972; DTXSID3048996; Cannabinolo [DCIT]; AC1L1DWZ; L000158; UNII-7UYP6MC9GH; Cannabinolo; 7UYP6MC9GH; 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; VBGLYOIFKLUMQG-UHFFFAOYSA-N; LMPK13120002; 3-amyl-6,6,9-trimethyl-benzo[c]chromen-1-ol; BRN 0237145; NSC-134455; GTPL740; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol); FT-0664223; 6,6,9-trimethyl-3-pentyl-1-benzo[c]chromenol; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol); SCHEMBL121085; 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol; Cannabinol 1.0 mg/ml in Methanol; DSSTox_GSID_48996; 6,6,9-trimethyl-3-pentyl-benzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol; NSC134455; 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran; BDBM50061117; AKOS024457448; 6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-; LMPK02000025; LS-61184; 3-Amyl-1-hydroxy-6,9-trimethyl-6H-dibenzo[b,d]pyran; 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol |
C21H26O2 |
310.43 |
c1([H])c(C([H])([H])[H])c([H])c(c(c(O[H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c2[H])c2OC3(C([H])([H])[H])C([H])([H])[H])c3c1[H] |
|
TCMBANKIN036825 |
Honokiol |
VZ32385; 354H746; NCGC00163567-01; HMS2051C12; 11513CCO0N; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-; 2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol; ZINC00001536; STK801954; AIDS002243; FVYXIJYOAGAUQK-UHFFFAOYSA-N; AC-486; SMP2_000040; 5,3′ C10630; AX8008971; NSC-293100; AS-15333; W-2613; 3',5-diallyl-2,4'-biphenyldiol; AC1Q7A9U; MLS000759481; TR-014635; 564-73-8; SR-01000758208-5; 3',5-Dipropenyl-(1,1'-biphenyl)-2,4'-diol; J10347; NC00114; SAM001246690; Bio-0326; MLS001423980; CHEBI:5759; 3'',5-diallylbiphenyl-2,4''-diol; REGID_for_CID_72303; O900; MolPort-002-507-432; SCHEMBL133034; InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H; BC205226; AN-15767; ANW-56605; MCULE-5001549020; ACN-035410; 3,5'-Diallyl-4,2'-dihydroxybiphenyl; Honokiol, >=98% (HPLC), powder; D04DQJ; CTK5J3931; BG01559998; SR-01000758208; BRD-K98493452-001-01-6; AC1L2HTG; AB0016711; AKOS005622639; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; AT-5464; 5,3''''-Diallyl-biphenyl-2,4''''-diol; RTR-014635; cid_72303; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; CHEMBL16901; 3',5-Diallyl-2,4'-dihydroxybiphenyl; 35354-74-6; 5,3′-Diallyl-2,4′-dihydroxybiphenyl; houpa; UNII-11513CCO0N; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; CPD000387107; HY-N0003; HMS3393C12; Honokiol; Q-100425; FT-0601638; 5,3''-Diallyl-biphenyl-2,4''-diol; 3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol; BBL027819; MFCD00016674; CCG-100864; ST24044036; AK-25837; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-; Honokiol, analytical standard; AJ-08043; BDBM50157304; 3',1'-biphenyl)-2,4'-diol; 5,3'-Diallyl-biphenyl-2,4'-diol; NSC293100; NCGC00163567-03; BG00615873; 4CN-0876; NSC 293100; H4914_SIGMA; KS-00000NQF; 3',5'-Diallyl-2,4'-biphenyldiol; SC-17371; BN0719; NCGC00163567-02; LS-174528; BB_NC-1461; s2310; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; API0002927; CS-1696; I06-0428; N1672; HMS2271J07; DTXSID30188845; SMR000387107; MLS001048916; AIDS-002243; HMS3656G03; Honokiol, HO; Honokiol, European Pharmacopoeia (EP) Reference Standard; ZINC1536; Honokiol,(S); MLS006011755; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; 5,3′-Diallyl-2,4′-dihydroxydiphenyl; 4-allyl-2-(3-allyl-4-hydroxyphenyl)phenol; 3',5-Diallylbiphenyl-2,4'-diol |
|
266.334 |
|
|
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] |
|
TCMBANKIN036911 |
Neocryptotanshinone |
Tanshinone V; CHEMBL1209715; AC1L4E98; ACMC-20cs2t; MolPort-039-338-876; AC1Q6N8U; CTK4A6611; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; Neocryptotanshinone; 121077-35-8; SCHEMBL14417697; 1,4-Phenanthrenedione,5,6,7,8-tetrahydro-3-hydroxy-2-[(1R)-2-hydroxy-1-methylethyl]-8,8-dimethyl-; 109664-02-0 |
|
314.376 |
|
|
TCMBANKIN037002 |
Danshenspiroketallactone |
dan shen-spiroketallactone; danshen spiroketallactone |
|
268.31 g/mol |
|
|
TCMBANKIN037357 |
feroxidin |
(6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol; AC1NSVG1 |
C11H14O3 |
194.23 |
CC1CC(CC2=C1C(=CC(=C2)O)O)O |
|
TCMBANKIN037392 |
Corypalline |
NSC131674; 450-14-6; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; corypalline |
|
193.24 |
|
|
TCMBANKIN037431 |
licarin b |
NSC370990; (-)-Licarin-B; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole; AC1NTO25; AN-41316; 5-[(3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole; 5-[(3S)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]-2H-1,3-benzodioxole; 51020-87-2; NSC-370990 |
C20H20O4 |
324.37 |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4 |
|
TCMBANKIN037483 |
przewalskin d |
|
C20H26O2 |
298.4 g/mol |
CC(C)C1=C(C(=C2C=C3C=CCC(C3CCC2=C1)(C)C)O)O |
|
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 |
|
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 |
|
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] |
|
TCMBANKIN038023 |
xanthoplanine |
Alkaloid FR-1; (+)-Xanthoplanine; 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-ium |
C23H30NO4 |
385 |
c1(OC([H])([H])[H])c([H])c2c([C@]([H])(C([H])([H])c(c([H])c(O[H])c(OC([H])([H])C([H])([H])[H])c3[H])c34)N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])c4c1OC([H])([H])C([H])([H])[H] |
|
TCMBANKIN038032 |
formononetin |
Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
C16H12O4 |
268.264 |
C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
|
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
|
TCMBANKIN038286 |
medicarpin |
(-)-Demethylhomopterocarpin; (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol; Demethylhomopterocarpin; (-)-Medicarpin; AIDS031298; C10503; (-) Medicarpin; l-3-Hydroxy-9-methoxypterocarpan; NSC350085; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol; 6H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; NCI60_003118; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol; AIDS-031298; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; (l)-De-o-methylhomopterocarpan; (-)-3-Hydroxy-9-methoxypterocarpan; 3-Hydroxy-9-methoxypterocarpan, (-); MEGxp0_001319; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol; medicarpin; CHEBI:16114; 32383-76-9; ACon1_001568 |
C16H14O4 |
270.28 |
c1(O[H])c([H])c(OC([H])([H])[C@@]([H])(c2c(c([H])c(OC([H])([H])[H])c([H])c2[H])O3)[C@@]34[H])c4c([H])c1[H] |
|
TCMBANKIN038346 |
Sagittatoside B |
|
C32H38O13 |
631 |
c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]4
([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=O)c5c(O[H])c1[H] |
|
TCMBANKIN038435 |
coniferin |
24-ethyl-5-bravery were steroids-3 beta alcohol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol; 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside; (2S,3R,4S,5S,6R)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2-methoxyphenyl (VAN); (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol; 531-29-3; ACon1_002032; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]oxane-3,4,5-triol; MLS000563468; CHEBI:16220; Coniferin; Coniferyl alcohol beta-D-glucoside; C00761; MEGxp0_000873; SMR000470885 |
C16H22O8 |
342.341 |
c1(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C([H])([H])O[H])c([H])c1[H] |
|
TCMBANKIN038448 |
Isobrucine |
isobrucine |
C23H28N2O4 |
396 |
c1(OC([H])([H])[H])c([H])c([C@@]2([C@@]([H])(N3C([H])([H])C2([H])[H])C([H])([H])[C@@]4([H])\C(=C([H])/C([H])([H])O[H])\C3([H])[H])[C@@]([H])([C@]4([H])C([H])([H])C([H])([H])C5=O)N56)c6c([H])c1OC([H])(
[H])[H] |
|
TCMBANKIN038555 |
Triptonoterpene methyl ether |
AC1NT19F; triptonoterpene methyl ether; 5-hydroxy-8-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
C21H30O3 |
330.5 g/mol |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)C)C)O |
|
TCMBANKIN038593 |
8-methoxy-9-hydroxythymol |
|
C11H16O3 |
196.27 |
|
|
TCMBANKIN038837 |
n-methyltyramine |
Methyl-4-tyramine; 370-98-9; N-methyltyraminium cation; C02442; 4-(2-methylaminoethyl)phenol; Phenol, 4-(2-(methylamino)ethyl)- (9CI); A823530; p-(2-(Methylamino)ethyl)phenol; 4-[2-(methylamino)ethyl]phenol; CHEBI:58155; PHENOL, p-(2-METHYLAMINOETHYL)-; N-methyltyraminium; Phenol, p-[2-(methylamino)ethyl]-; BRN 2357129; NMT; N-Methyltyramine; 2-(4-hydroxyphenyl)ethyl-methylammonium; WIN 5582; 2-(4-hydroxyphenyl)ethyl-methyl-azanium; NSC113958; p-[2-(Methylamino)ethyl]phenol; Tyramine, N-methyl-; p-(2-Methylaminoethyl)phenol; EINECS 206-731-3; 4-13-00-01790 (Beilstein Handbook Reference); 4-Hydroxy-N-methylphenethylamine; CHEBI:17458; N-methyltyraminium(1+); NSC 113958; Phenol, 4-[2-(methylamino)ethyl]-; 2-(4-hydroxyphenyl)-N-methylethanaminium |
C9H13NO |
151.21 |
CCC(C)C(=O)N |
|
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 |
|
TCMBANKIN039341 |
Corydine |
4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (S)-; IDQUPXZJURZAGF-UHFFFAOYSA-N; 2,10,11-Trimethoxy-6a.alpha.-aporphin-1-ol; (+)-(S)-Corydine; MCULE-2539231400; STOCK1N-48890; DL-Corydine; NSC688261; (6Ars)-5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-1-ol; 2505-56-8; corydine; 1-Hydroxy-2,10,11-trimethoxy-6a.alpha.-aporphine; NP-011329; d-Corydine; AC1L390N; Glaucentrine; Glaucentrin; Corytuberine methyl ether; 5-21-06-00134 (Beilstein Handbook Reference); (S)-(+)-Corydine; NCGC00384558-01!2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol; 3,4,15-TRIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-16-OL; (+)-Corydine; 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-; AKOS016023672; CHEMBL2002847; NSC-688261; MolPort-001-742-663; O(sup 11)-Methylcorytuberine; O(11)-Methylcorytuberine; 6a-alpha-APORPHIN-1-OL, 2,10,11-TRIMETHOXY-; NCI60_031859; SCHEMBL11250050; BRN 0095568; 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (6aS)-; Corydine, (+/-)-; (+/-)-Corydine; 6a.alpha.-Aporphin-1-ol, 2,10,11-trimethoxy-; 2,10,11-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (S)- # |
|
341.4 |
|
|
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 |
|
TCMBANKIN039439 |
Tanshinone IIa |
SCHEMBL4126834; CHEMBL187266; UNII-4GPC9FQG6L; tanshinone II A; Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; 568T729; BB_NC-1062; HMS1361P19; 17545-07-2; SCHEMBL2026738; CHEBI:108595; FT-0652880; AKOS004120032; MLS006011840; AC-1440; BSPBio_002426; HMS2270D15; SMR000387068; Acid Red 5 sodium salt; CT0134; Tanshinone IIA, >=97% (HPLC); NCGC00095755-03; Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard; ACN-035345; CTK5A5836; Tanshinone IIA, analytical standard; AIDS-150197; s2365; NCGC00095709-01; HMS1791P19; CCG-208275; SC-17279; 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione-, (R)-; I06-0439; SR-01000758926-4; KBio3_000634; 1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dion; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione; Tanshinon II; AC1L4V8J; 4CN-0930; KBio2_000317; HSDB 8104; AN-14938; Tanshinone IIA; RTR-031585; BC205184; BRD-K00141480-001-03-0; AC1LAW3B; TL8003671; NCI60_031209; Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione; SMR004703500; CCG-207955; N1846; (?)-Cryptotanshinone; NCGC00095709-04; Phenanthro[1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; Tanshinone II; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #; HMS3656C11; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; KBioSS_000317; SR-01000758926-2; MCULE-8689433740; NCGC00095709-03; I14-22013; Bio2_000317; NP474; NCGC00095709-02!TANSHINONE IIA; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; BC678108; A831217; BBL010026; CTK8I3995; NSC686519; AS-16136; UPCMLD-DP042:001; KBioGR_000317; SBB066119; Dan Shen Ketone; STK801405; SR-01000758926-5; NSC-686519; S594; 1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; BG00628358; Ambotz568-72-9; MFCD00238692; Tanshinone A; InChI=1/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3; BBL028449; Tanshinone B, Tanshinone II, 568-72-9; Tanshinone B; Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard; Cryptotanshinon; CHEMBL1518673; MLS001048863; STK801917; KBio2_005453; TR-031585; MolPort-002-507-310; AC1Q6JLQ; NCGC00095709-05; (-)-Cryptotanshinone; HMS3402P19; NCGC00095709-06; W-2832; SPECTRUM1505824; 4GPC9FQG6L; C19H18O3; Bio2_000797; HMS2089H08; Q-100654; Tanshinone IIa; Cryototanshinone; KBio2_002885; BDBM83922; IDI1_034067; 568-72-9; MLS006011834; BSPBio_001597; DTXSID60205352; GVKKJJOMQCNPGB-UHFFFAOYSA-; HYXITZLLTYIPOF-UHFFFAOYSA-N; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione; HMS1989P19; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,7,9,11(15)-tetraene-16,17-dione; SR-01000758926; BIB6295; NCGC00095709-02; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; cid_164676; ZINC01650576; NCGC00095755-01; MFCD05671363; GP2434; 1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione; Tanshinone IIA (Tanshinone B); LS-175776; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; HMS3655P20; NSC 686518; I06-0645; tanshinone ii a; Tanshinone 2-A; KBio3_000633; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone; UPCMLD-DP042; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; AB0018692; NSC686518; AIDS150197; API0010219; GVKKJJOMQCNPGB-UHFFFAOYSA-N; STOCK1N-48169; HY-N0135; AKOS005612965; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione; TanshinoneIIA; ZINC1650576; 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; Neuro_000424 |
|
294.34 |
|
|
TCMBANKIN039557 |
amentoflavone |
BDBM50129952; CTK8F7701; CC-24050; Q-100192; 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 1617-53-4; CHEBI:2631; AC1NQYPA; 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione; 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; MFCD00017470; N2268; DTXSID20167225; HMS3343J17; amentoflavone ; C10018; 40584_FLUKA; MFCD20275041; 2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; 8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; A810291; CS-4945; AIDS000485; NSC295677; UNII-9I1VC79L77; KS-00000037; 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; ZINC3984030; NCGC00247542-01; SR-01000721725; SCHEMBL312563; HMS2228B12; 8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3',8''-Biapigenin; Didemethyl-ginkgetin; amentoflavone; 9I1VC79L77; cid_5281600; SC-13592; 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one; YUSWMAULDXZHPY-UHFFFAOYSA-N; AN-49542; BIDD:PXR0028; 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; D06HRX; 3',8-Bi[4',5,7-trihydroxyflavone]; MolPort-001-741-078; 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl); MEGxp0_000924; 8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one; SMR000156235; 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; W1536; Amentoflavone, >=99.0% (HPLC); HY-N0662; MLS000574827; SR-01000721725-2; Amenthoflavone; C-23136; NSC-295677; LMPK12040009; 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; I07-0160; 79596-89-7; CHEMBL63354; 4H-1-Benzopyran-4-one,8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-; SR-01000721725-3; FT-0622262; AIDS-000485; AKOS015896819; 4',4''',5,5'',7,7''-Hexahydroxy-3''',8-biflavone, 8CI; NSC 295677; BG01783910; Tridemethylsciadopitysin; Amentoflavone, analytical standard; 617A534; Ambotz1617-53-4; 4',5,7-Trihydroxyflavone(3'->8)-4',5,7-trihydroxyflavone |
C30H18O10 |
538.458 |
c12c(OC(c3c([H])c([H])c(O[H])c(c(c(O[H])c([H])c4O[H])c(OC(c5c([H])c([H])c(O[H])c([H])c5[H])=C([H])C6=O)c46)c3[H])=C([H])C1=O)c([H])c(O[H])c([H])c2O[H] |
|
TCMBANKIN039581 |
Pyrocurzerenone |
pyrocurzerenone |
C15H16O |
212.29 g/mol |
CC1=CC2=C(CC1)C(=CC3=C2C(=CO3)C)C |
|
TCMBANKIN039609 |
Epidanshenspiroketallactone |
|
|
340.4 g/mol |
|
|
TCMBANKIN039900 |
Futokadsurin C |
futokadsurin c |
|
356.4 g/mol |
|
|
TCMBANKIN040127 |
przewalskin c |
|
C21H30O3 |
330.5 g/mol |
CC(C)C1=C(C(=C2CC3=CCCC(C3CC(C2=C1)OC)(C)C)O)O |
|
TCMBANKIN040571 |
4,7-dimethyl-1-tetralone |
|
C12H14O |
174.24 g/mol |
CC1CCC(=O)C2=C1C=CC(=C2)C |
|
TCMBANKIN040725 |
voacangine |
voacangine ; SCHEMBL17340578 |
C22H28N2O3 |
368.47 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
|
TCMBANKIN041250 |
Corydaline |
518-69-4; CORYDALINE; C15530; NSC 406036; CHEMBL1209608; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-E)-; 13abeta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl- (8CI); MEGxp0_000624; AC1NSTV0; 2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol; SCHEMBL12667453; 2,3,9-Trimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-10-ol; 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine; (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)- (9CI); 13a-beta-Berbine, 2,3,9,10-tetramethoxy-13-alpha-methyl- (8CI); ACon1_000349; BRN 0096972; CHEBI:14027; 5-21-06-00173 (Beilstein Handbook Reference); ACon0_001192 |
C22H27NO5 |
385.453 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])c(c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])c2[C@]3([H])OC([H])([H])[H])[C@@]34[H])c4c([H])c1OC([H])([H])[H] |
|
TCMBANKIN041371 |
Fumaricine |
(1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- |
C21H23NO5 |
369.411 |
C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([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 |
|
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] |
|
TCMBANKIN041910 |
Artepillin A |
artepillin a |
|
316.4 g/mol |
|
|
TCMBANKIN042189 |
Noryuziphine |
|
|
269.37 |
|
|
TCMBANKIN042372 |
Preskimmianine |
|
|
303.35 |
|
|
TCMBANKIN042478 |
tetrahydroreticuline |
|
C19H22NO4 |
329 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])=C2C([H])([H])c3c([H])c(O[H])c(OC([H])([H])[H])c([H])c3[H])c2c([H])c1O[H] |
|
TCMBANKIN043002 |
9-O-angeloyl derivative |
|
|
278.38 |
|
|
TCMBANKIN043152 |
Amygdalinic acid |
|
C20H28O13 |
476 |
c1([H])c([H])c([H])c([C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(O
[H])=O)c([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] |
|
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 |
|
TCMBANKIN043359 |
przewalskin |
norsalvioxide |
C18H24O2 |
272.382 |
C1([H])([H])C([H])([H])[C@]23[C@@]([H])(C([H])([H])[C@]([H])(OC2([H])[H])c4c3c([H])c(O[H])c(C([H])([H])[H])c4[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
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 |
|
|
TCMBANKIN043666 |
phellodendrine |
|
C20H24NO4 |
343 |
c1(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])[N@H](C([H])([H])[H])(C([H])([H])c(c([H])c(OC([H])([H])[H])c(O[H])c2[H])c2C3([H])[H])[C@@]34[H])c4c([H])c1O[H] |
|
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] |
|
TCMBANKIN044096 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN044315 |
Δ8-Tetrahydrocannabinol |
|
|
|
|
|
TCMBANKIN044684 |
litcubine |
|
C19H22NO4+ |
328.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)O)OC |
|
TCMBANKIN044866 |
kadsurenone |
(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one; 6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2S-(2alpha,3beta,3aalpha))-; PDSP2_000721; C10638; 2beta-(3,4-Dimethoxyphenyl)-3alpha-methyl-3aalpha-methoxy-5-allyl-2,3,3a,6-tetrahydrobenzofuran-6-one; PDSP1_000731; 95851-37-9; (2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one; Kadsurenone |
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN045676 |
Yuziphine |
|
|
299.36 |
|
|
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 |
|
TCMBANKIN046056 |
ar-turmerone |
(6S)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one; 532-65-0; ar-Turmerone; ar-turmerone ; 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (S)- |
C15H20O |
216.319 |
c1(C([H])([H])[H])c([H])c([H])c([C@]([H])(C([H])([H])C(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
|
TCMBANKIN046156 |
przewaquinone c |
|
C18H16O4 |
296.3 g/mol |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)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 |
|
TCMBANKIN046605 |
2-methylbutyryloxy moiety |
|
C16H24O4 |
280.359 |
c1([H])c(C([H])([H])[H])c([H])c(O[H])c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])OC([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)c1[H] |
|
TCMBANKIN046852 |
OBOVATOL |
5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol; NSC364150; 83864-78-2; 5-allyl-3-(4-allylphenoxy)pyrocatechol; obovatol; 1,2-Benzenediol, 5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-; NSC 364150; 5-allyl-3-(4-allylphenoxy)benzene-1,2-diol; 4',5-Diallyl-2,3-dihydroxybiphenyl ether |
C18H18O3 |
282.33 |
C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)CC=C |
|
TCMBANKIN046966 |
14-O-Cinnamoylneoline |
|
|
568 |
|
|
TCMBANKIN047091 |
GA118 |
|
|
348.43 |
|
|
TCMBANKIN047240 |
Ganoderenic acid A |
|
C30H42O7 |
515 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(\C(\C([H])([H])[H])=C([H])/C(C([H])([H])[C@@]([H])(C(O[H])=O)C([H])([H])[H])=O)C([H])([H])[C@]2([H])O[H])[
C@@]23C([H])([H])[H])=C3[C@@]([H])(O[H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O |
|
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 |
|
TCMBANKIN047824 |
Homovanillyl alcohol |
4-Hydroxy-3-methoxyphenethanol; homovanillyl alcohol; EINECS 219-175-1; 3-METHOXY-4-HYDROXYPHENYLETHANOL; 4-Hydroxy-3-methoxyphenethyl alcohol; Benzeneethanol, 4-hydroxy-3-methoxy-; 148830_ALDRICH; ZINC00388293; 4-(2-hydroxyethyl)-2-methoxyphenol; 4-(2-hydroxyethyl)-2-methoxy-phenol; 4-Hydroxy-3-methoxyphenylethyl alcohol; 4-(2-Hydroxyethyl)guaiacol; 2380-78-1; ST5406563 |
C9H12O3 |
168.19 |
COC1=C(C=CC(=C1)CCO)O |
|
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 |
|
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] |
|
TCMBANKIN048196 |
Hancinone C |
hancinone c |
|
400.46 |
|
|
TCMBANKIN048651 |
10-Gingerdione |
10-gingerdione; (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one; AC1NSVUE; SCHEMBL15570964 |
C21H32O4 |
348.5 g/mol |
CCCCCCCCCC(=O)C=C(CCC1=CC(=C(C=C1)O)OC)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 |
|
TCMBANKIN048933 |
2,4,7-Trimethoxy-9,10-dihydrophenanthrene |
|
|
270.32 g/mol |
|
|
TCMBANKIN049269 |
przewaquinone A |
przewaquinone a; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-(Hydroxymethyl)-6,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 6,6-dimethyl-1-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; Phenanthrol[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1-(hydroxymethyl)-6,6-dimethyl- |
C19H18O4 |
310.344 |
C1([H])([H])C([H])([H])c(c(C(=O)C(=O)c(c(C([H])([H])O[H])c([H])o2)c23)c3c([H])c4[H])c4C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN049952 |
procurcumadiol |
|
C15H22O3 |
250.33 |
CC1=CC(=O)C(=C(C)C)CC2(C1CCC2(C)O)O |
|
TCMBANKIN049993 |
3-beta-Hydroxymethyllenetanshiquinone |
(7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; (7S)-7-hydroxy-1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; 3-beta-hydroxymethyllenetanshiquinone |
C18H14O4 |
294.301 |
c12c(C(=C([H])[H])[C@@]([H])(O[H])C([H])([H])C1([H])[H])c([H])c([H])c3c2C(=O)C(=O)c(c(C([H])([H])[H])c([H])o4)c34 |
|
TCMBANKIN050059 |
7-hydroxymitragynine |
|
C23H30N2O5 |
414.5 g/mol |
CCC1CN2CCC3(C(=NC4=C3C(=CC=C4)OC)C2CC1C(=COC)C(=O)OC)O |
|
TCMBANKIN055740 |
3',4'-Dihydroxyacetophenone |
C16225; 35878-41-2; (3R)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (3R)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; 7,2'-dihydroxy-4'-methoxyisoflavan; C16225; (3S)-3-(2-hydroxy-4-methoxyphenyl)chroman-7-ol; 4CN-2332; C10540; 9JHS2AVR43; vestitol; 35878-41-2; (R)-(-)-Vestitol; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol; ZB015172; ZINC899922; (3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol; CTK1C3580; (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-chromanol; (?)-Vestitol; CHEBI:80392; (-)-Vestitol; AC1L4ALZ; UNII-Z244UVZ669 component XRVFNNUXNVWYTI-NSHDSACASA-N; CHEMBL479145; Vestitol, (-)-; UNII-9JHS2AVR43; MolPort-039-338-174; 20879-05-4; (3S)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4-methoxy-phenyl)chroman-7-ol; Vestitol |
C8H8O3 |
152.147 |
c1([H])c(C(=O)C([H])([H])[H])c([H])c(O[H])c(O[H])c1[H] |
|
TCMBANKIN057906 |
mercury |
hydrargyrum |
Hg |
200.59 g/mol |
[Hg] |
|
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 |
|
TCMBANKIN057965 |
arginine |
L(+ )-arginine;EINECS 230-571-3; (2S)-2-amino-5-guanidino-pentanoic acid; EINECS 200-811-1; (S)-2-Amino-5-guanidinovaleric acid; DL-Arginine; (L)-Arginine; Arginine hydrochloride(USAN); 1-Amino-4-guanidovaleric acid; L-Ornithine, N5-(aminoiminomethyl)-; W381918_ALDRICH; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; Arginine [USAN:INN]; S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; L-Arginine, labeled with tritium; AI3-24165; AIDS-121865; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; NSC203450 (HYDROCHLORIDE); A5006_SIAL; (+-)-Arginine; L-Norvaline, 5-((aminoiminomethyl)amino)-; AIDS121865; Lopac0_000077; Tocris-0663; Arginine (VAN); 4455-52-1; CCRIS 3609; BRN 1725413; NCGC00015064-01; (2S)-2-amino-5-(carbamimidamido)pentanoic acid; (2S)-2-amino-5-guanidinopentanoic acid; D02982; Argininum [INN-Latin]; C00062; 7200-25-1; A8094_SIGMA; 11009_FLUKA; Poly(L-arginine); (2S)-2-amino-5-guanidino-valeric acid; Lopac-A-5006; NSC 206269; HSDB 1429; CHEBI:16467; L-Arginine, homopolymer; L-Arginine (9CI); Arginina [INN-Spanish]; 4-04-00-02648 (Beilstein Handbook Reference); (S)-2-amino-5-guanidinopentanoic acid; (S)-2-Amino-5-((aminoiminomethyl)amino)pentanoic acid; Arginine, L- (8CI); L-Arginine (JP15); EU-0100077; L-alpha-Amino-delta-guanidinovaleric acid; NSC7914 (HYDROCHLORIDE); Arginine (USP); 1119-34-2 (HYDROCHLORIDE); Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-; L-Arg; L-Norvaline, 5-[(aminoiminomethyl)amino]-; 142-49-4; A4474_SIAL; InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s; L-Arginin; Arginine, DL-; NCGC00024715-01;AC1ODX8E; [(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium; [AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM |
C6H14N4O2 |
174.2 g/mol |
C(CC(C(=O)O)N)CN=C(N)N |
|
TCMBANKIN057975 |
lysine acid |
|
C6H14N2O2 |
146.19 g/mol |
C(CCN)CC(C(=O)O)N |
|
TCMBANKIN057988 |
taurine |
N-propyl-4-[5,10,13,14-tetramethyl-3,7,12-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanamide; A801680; N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide |
C2H7NO3S |
125.15 g/mol |
C(CS(=O)(=O)O)N |
|
TCMBANKIN057994 |
n-candicine |
candicine;AK608281; 2-(4-hydroxyphenyl)ethyl-trimethylazanium; 2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide; AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-; NCGC00246201-01; BDBM73699; P-HYDROXYPHENYLETHYLTRIMETHYLAMMONIUM; 6656-13-9; 2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide; SMR000386994; C10575; SCHEMBL9561478; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium; Candicine; MLS001048976; BRN 4133224; maltoxin; STOCK1N-09195; LS-18378; AC1L2LQA; cid_15127809; 2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium; 2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide; CHEBI:3350; AKOS030573561; BENZENEETHANAMINIUM,4-HYDROXY-N,N,N-TRIMETHYL-; CHEMBL1186075; 4-Hydroxy-N,N,N-trimethylbenzeneethanaminium; MCULE-2664478913; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl- (9CI); FT-0737753; Candicin; Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-; 2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide; ZINC518912 |
C11H18NO+ |
180.27 g/mol |
C[N+](C)(C)CCC1=CC=C(C=C1)O |
|
TCMBANKIN057996 |
tembetarine |
(+)-tembetarin;tembetarine |
C20H26NO4+ |
344.4 g/mol |
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C |
|
TCMBANKIN057998 |
magnoflorine |
NSC150447; AKOS025401511; Magnoflorine; Escholine Iodide; C20H24NO4.I; Magnoflorine, iodide; Thalictrine Iodide; Magnoflorine Iodide (6CI,7CI); N2506; AC-20269; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, iodide, (S)-; Magnoflorine-iodide; NSC 150447; MAGNOFLORINE IODIDE; MAGNOFLORINE IODIDE, (+)-(RG); Magnoflorineiodide; BG01755204; (+)-Magnoflorine Iodide; CHEMBL494052; Corytuberine Methiodide; MolPort-006-069-296; NSC-150447; 4277-43-4; (+)-MAGNOFLORINE IODIDE; 1,11-Dihydroxy-2,10-dimethoxy-6-methyl-6a; AK608288; A-aporphinium Iodide; 8167AH; DTXSID00195420; (6aS)-5,6,6a,7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium Iodide; magnoflorine; (+)-magnoflorine |
C20H24NO4+ |
342.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
|
TCMBANKIN057999 |
menisperine |
AC1Q57X7; AC1L4PIF; CTK5D5779; meruspermine; NCI60_042007; Menisperine; 25342-82-9; (6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium; ZINC1580869; CHEMBL1186240; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)-; (chakranine, or isocorydinium cation); 7224-59-1; (9S)-3-HYDROXY-4,15,16-TRIMETHOXY-10,10-DIMETHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-10-IUM |
C21H26NO4+ |
356.4 g/mol |
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
|
TCMBANKIN058005 |
cissamine |
DTXSID00171789; 18556-27-9; 6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)-; AC1MIY8A; (S,S)-N-methylscoulerine; (7S,13aS)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolinium; (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol; Cyclanoline; ZINC255226625; CHEBI:76923; S-trans-cyclanoline; (S)-cis-N-methylscoulerine; (6S,12BS)-4,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-7,8,12B,13-TETRAHYDRO-5H-6-AZATETRAPHEN-6-IUM; Cissamine;cyclanoline |
C20H24NO4+ |
342.4 g/mol |
C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC |
|
TCMBANKIN058043 |
safrole |
saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol |
C10H10O2 |
162.19g/mol |
C=CCC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
|
TCMBANKIN058156 |
dopa |
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphate (sodium salt); SODIUM (2R)-1-(HYDROGEN PHOSPHONATOOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE; SCHEMBL940484; 1,2-Dioleoyl-sn-glycero-3-phosphoric acid monosodium salt, >=98% (TLC); sodium (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate; DTXSID1039686; 116004-31-0; 1,2-dioleoyl-sn-glycero-3-phosphate (sodium salt); 18:1 PA; 1-O,2-O-Dioleoyl-L-glycerin-3-phosphoric acid sodium salt;NCGC00093869-04; Alanine, 3-(3,4-dihydroxyphenyl)-, D- (8CI); NCGC00093869-03; D-Tyrosine, 3-hydroxy- (9CI); 3-(3,4-Dihydroxyphenyl)-D-alanine; 37840_FLUKA; D-3-Hydroxytyrosine; NSC 118368; (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid; EINECS 227-343-0; 3-Hydroxy-D-tyrosine; D9378_SIGMA;Dopa D-form |
C9H11NO4 |
197.19 g/mol |
C1=CC(=C(C=C1CC(C(=O)O)N)O)O |
|
TCMBANKIN058157 |
salvianic acid a;danshensu |
MolPort-027-836-277; W-203757; DS-182; SCHEMBL18469325; AN-8468; CHEBI:71572; KS-00000R2J; UNII-NA8H56YM3K component PAFLSMZLRSPALU-MRVPVSSYSA-N; ACN-035342; AKOS006328573; 3,4-dihydroxyphenyllactic acid; Danshensu; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid; AK119798; HY-N1913; SC-96866; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid; Benzenepropanoic acid, alpha,3,4-trihydroxy-, (alphaR)-; AC-7985; AJ-24202; Salianic acid A; BC251342; Salvianic acid A; (R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid; BG01512207; s4741; (2R)-3-(3,4-dihydroxyphenyl)lactic acid; I14-53224; MFCD09038703; DTXSID60469215; FCH869720; FT-0696736; (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propionic acid; ZINC895535; Dan shen suan A; 76822-21-4; CS-5614; danshensu ; r-(+)-beta-(3,4-dihydroxyphenyl)-lactic acid; UNII-4GF33A5PAJ; 4GF33A5PAJ |
C9H10O5 |
198.17 g/mol |
C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
|
TCMBANKIN058161 |
3, 4-dihydroxybenzenepropionic acid |
3-(3,4-dihydroxyphenyl)propanoicacid;HYKOP |
C9H10O4 |
182.17 g/mol |
C1=CC(=C(C=C1CCC(=O)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 |
|
TCMBANKIN058241 |
tyrosin;DTY |
Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-; HSDB 2003; AIDS192306; L-Phenylalanine-4-hydroxy-; EINECS 200-460-4; 4-Hydroxy-L-phenylalanine; Tyrosine (VAN); alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-; AI3-09055; beta-(p-Hydroxyphenyl)alanine; nchembio816-comp11; AIDS192301; AIDS192308; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; CHEBI:17895; AIDS-192301; TYR NH3+ COOH; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours; (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; Tyrosinum [Latin]; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; AIDS-192307; 25619-78-7; L-Tyrosine (9CI); 1991-85-1; L-Tyrosine, homopolymer; AIDS018692; (S)-alpha-Amino-4-hydroxybenzenepropanoic acid; L-Tyrosin; 55520-40-6; Tirosina [Spanish]; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; alpha-Amino-beta-(4-hydroxyphenyl)propionic acid; BB_NC-1194; D00022; C00082; Tyrosine, L- (8CI); Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction; Tyrosine [USAN:INN]; T3754_SIAL; 140-43-2; NCGC00159350-03; T8566_SIGMA; AIDS-192305; AIDS-018692; 2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-; AIDS-192308; AIDS-192306; 2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-; 93829_FLUKA; alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-; (S)-Tyrosine; T4321_SIAL; L-Tyrosine, monomer; L-Tyrosine (JAN); Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-; NCGC00159350-02; AIDS192305; W373605_ALDRICH; 46209-14-7; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide; Tyrosine (USP/INN); FEMA No. 3736; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs; NSC 82624; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide; AIDS192307; (S)-3-(p-Hydroxyphenyl)alanine |
C9H11NO3 |
181.19 g/mol |
C1=CC(=CC=C1CC(C(=O)O)N)O |
|
TCMBANKIN058252 |
tyramine |
AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium |
C8H11NO |
137.18 |
C1=CC(=CC=C1CCN)O |
|
TCMBANKIN058255 |
Tyrosol |
NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol |
C8H10O2 |
138.16 g/mol |
C1=CC(=CC=C1CCO)O |
|
TCMBANKIN058331 |
A peanut acid;Peanut acid |
|
C30H45N9O5 |
|
C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N |
|
TCMBANKIN058341 |
1,7-diphenylhept-4-en-3-one |
DAH-3-Keto-4-en;1,7-diphenyl-4-hepten-3-one;MEGxp0_001315; (4E)-1,7-diphenyl-hepta-4-en-3-on; ACon1_001294; InChI=1/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8; (E)-1,7-di(phenyl)hept-4-en-3-one; 1,7-Diphenylhept-4-en-3-one |
C19H20O |
264.4 g/mol |
C1=CC=C(C=C1)CCC=CC(=O)CCC2=CC=CC=C2 |
|
TCMBANKIN058377 |
tryptamine |
tryptamine sulfate;TSS;KBioSS_000393; 2-(1H-indol-3-yl)ethylamine; DivK1c_000862; SMR000112268; IDI1_000862; 2-(3-Indolyl)ethylamine; 2-Indol-3-ylethylamine; KBio3_002903; SDCCGMLS-0066798.P001; 2-(1H-INDOL-3-YL)ETHANAMINE; KBio1_000862; Indol-3-ethylamine; NCGC00095081-01; KBioGR_001459; BSPBio_003400; Spectrum_000033; Indole, 3-(2-aminoethyl)-; SPECTRUM1503922; 193747_ALDRICH; 1H-Indole-3-ethanamine; Lopac-246557; SPBio_000945; AIDS072303; 5-22-10-00045 (Beilstein Handbook Reference); AIDS-072303; CHEBI:16765; EINECS 200-510-5; Spectrum2_000873; Lopac0_000061; MT4; TRYPTAMINE; Spectrum3_001890; AE-848/30735051; Spectrum4_000850; NINDS_000862; (Amino-2 ethyl)-3 indole [French]; NCGC00095081-04; C00398; BRN 0125513; KBio2_000393; 2-(Indol-3-yl)ethylamine; 3-(2-aminoethyl)indole; MLS000515794; TSH; NCGC00014994-01; NCGC00095081-02; KBio2_005529; Oprea1_870097; Spectrum5_001296; KBio2_002961; SBB003963; 61-54-1 |
C10H12N2 |
160.22 g/mol |
C1=CC=C2C(=C1)C(=CN2)CCN |
|
TCMBANKIN058425 |
serotonine |
AC1L1JTO; Oprea1_712368; KBio2_007608; Tryptamine, 5-hydroxy-; NCGC00142449-02; Ds substance; 6996AB; NCGC00015525-08; Bio2_000396; 14C-5-hydroxy tryptamine creatinine disulfate; KBioGR_002472; 6F7FD5B4-A558-45F0-A20A-2D068A3EFE6A; NCGC00015525-06; NCGC00142449-03; CHEMBL39; Prestwick1_000481; NCGC00015525-02; KBio3_000843; CH-132; ALBB-006183; FT-0631212; MolPort-001-779-633; BRN 0143524; 3-(.beta.-Aminoethyl)-5-hydroxyindole; PDSP1_001512; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; AX8011985; KBioGR_000452; 5-Hydroxytryptamine, free base; DTXSID8075330; NCGC00142449-04; KBio3_002950; Indol-5-ol, 3-(2-aminoethyl)-; Substanz DS; Antemovis; KBio2_000452; L000078; IDI1_002151; Prestwick0_000481; 5-Hydroxy-3-(beta-aminoethyl)indole; AC1Q54C0; serotonin; Prestwick2_000481; LS-83647; 5-Hydroxytryptamine, 5-HT, Enteramine; KBio2_002472; Hippophain; 5-hydroxy-tryptamine; KBio2_005588; Substance DS; SPBio_002262; 2-imino-1-methylimidazolidin-4-one; 3-(2-aminoethyl)-1H-indol-5-ol; bis(sulfuric acid); Biomol-NT_000083; BDBM10755; HMS3403H13; AKOS001484724; NCGC00015525-05; C-06146; HMS1362H13; 5-Hydroxytriptamine; API0006544; I14-1899; ZINC57058; HMS1990H13; Bio2_000876; KB-177045; A-Aminoethyl)-5-hydroxyindole, Thrombotonin; Thrombocytin; CC-21879; NCGC00015525-09; NCGC00142449-05; 3-(2-Aminoethyl)-1H-indol-5-ol #; Enteramine; KBioSS_002479; HMS1792H13; 5-Hydroxy-3-(.beta.-aminoethyl)indole; CAS-153-98-0; 5-Hta; STK503758; GTPL5; KBio3_000844; CTK4J2994; 5-22-12-00016 (Beilstein Handbook Reference); Thrombotonin; 5-hydroxyl tryptamine; AJ-09556; Serotonine; Thrombocytin, 3-(; Bio1_001428; BCBcMAP01_000198; cMAP_000059; EINECS 200-058-9; 5-Hydroxyltryptamine; K-9367; Hippophaine; 3-(beta-Aminoethyl)-5-hydroxyindole; DB-051820; 50-67-9; C00780; BPBio1_001079; Prestwick3_000481; BSPBio_001112; 5-Hydroxy-3-(b-aminoethyl)indole; 333DO1RDJY; SMP1_000272; MCULE-8788459983; Lopac0_000607; H-8000; AK115646; D0F6CD; NCGC00015525-07; 3-(b-Aminoethyl)-5-hydroxyindole; Lopac-H-9523; Bio1_000450; Antemoqua; 5-HYDROXYTRYPTAMINE; BPBio1_000377; TR-018115; Serotonin, analytical standard; KBio2_003020; 3-(2-Aminoethyl)indol-5-ol; STOCK1N-48365; KBioSS_000452; NCGC00142449-01; 3-(2-Aminoethyl)-1H-indol-5-ol; NCGC00015525-04; 1H-Indol-5-ol,3-(2-aminoethyl)-; 5-hydroxy tryptamine creatinine disulfate; 3-(2-Amino-ethyl)-1H-indol-5-ol; NCGC00015525-03; Enteramin; CCG-204696; bmse000757; QZAYGJVTTNCVMB-UHFFFAOYSA-N; CHEBI:28790; UNII-333DO1RDJY; BSPBio_000341; AN-41571; SCHEMBL1495; BG01504460; PDSP2_001496; Bio1_000939; 5-HT; NCGC00015525-01; FCH832159; BG00601775;Serotonin;AIDS-166243; Indol-5-ol, 3-(2-aminoethyl)-; 5-Hydroxytryptamine; Oprea1_712368; KBio2_007608; Substanz DS; Antemovis; Lopac-H-9523; Thrombocytin; Bio1_000450; Antemoqua; KBio2_000452; Tryptamine, 5-hydroxy-; IDI1_002151; Prestwick0_000481; BPBio1_000377; 5-Hydroxy-3-(beta-aminoethyl)indole; Ds substance; Enteramine; AIDS166243; KBio2_003020; KBioSS_002479; 3-(2-Aminoethyl)indol-5-ol; serotonin; Prestwick2_000481; Bio2_000396; NCGC00142449-01; KBioGR_002472; KBioSS_000452; 3-(2-Aminoethyl)-1H-indol-5-ol; 5-Hta; CAS-153-98-0; KBio2_002472; KBio3_000844; 5-22-12-00016 (Beilstein Handbook Reference); Hippophain; Thrombotonin; NCGC00142449-03; Serotonine; KBio2_005588; Substance DS; Prestwick1_000481; SPBio_002262; NCGC00015525-02; Biomol-NT_000083; KBio3_000843; CHEBI:28790; BSPBio_000341; Bio1_001428; cMAP_000059; BCBcMAP01_000198; EINECS 200-058-9; BB_NC-1185; BRN 0143524; PDSP1_001512; 3-(beta-Aminoethyl)-5-hydroxyindole; PDSP2_001496; 50-67-9; 1H-Indol-5-ol, 3-(2-aminoethyl)-; KBio2_005040; C00780; BPBio1_001079; Bio1_000939; Prestwick3_000481; NCGC00015525-01; KBioGR_000452; Bio2_000876; BSPBio_001112; SMP1_000272; Lopac0_000607; NCGC00142449-04; KBio3_002950 |
C10H12N2O |
176.21 g/mol |
C1=CC2=C(C=C1O)C(=CN2)CCN |
|
TCMBANKIN058450 |
ADO |
nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside |
C10H13N5O4 |
267.24 g/mol |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
|
TCMBANKIN058454 |
glaunine |
guanine (1,7-dihydro-form) |
C5H5N5O |
|
C1=NC2=C(N1)C(=O)N=C(N2)N |
|
TCMBANKIN058458 |
crotonoside |
crotonside; Isoguanosine (7CI,8CI); Isoguanine, 9-beta-D-ribofuranosyl-; 9H-Purin-2-ol, 6-amino-9-beta-D-ribofuranosyl-; Crotonoside; Adenosine, 1,2-dihydro-2-oxo-; Crotonside; isoguanosine ZINC04082270; PDSP1_000998; 6-amino-9-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one; Isoguanosine (VAN) (8CI); 1,2-Dihydro-2-oxoadenosine; 1818-71-9; C08432; NSC 12161; AC1OFDZ3; Isoguanosine; STOCK1N-54578; ZINC4018123; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1H-purin-2-one; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-2-one; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1H-purin-2-one; PDSP2_000982 |
C10H13N5O5 |
283.24 g/mol |
C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N |
|
TCMBANKIN058467 |
Hinokinin |
Cubebinolide; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranone; CTK1F0599; 2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-; hinokinin; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-; (+)-Hinokinin; DDWGQGZPYDSYEL-CABCVRRESA-N; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one; CHEMBL180970; 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3S,4S)-; 3,4-Bis(1,3-benzodioxol-5-ylmethyl)dihydro-2(3H)-furanone #; 580-73-4; 26543-89-5; DTXSID40451491; (3S,4S)-3,4-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)OXOLAN-2-ONE; C10627; ZINC900115; SCHEMBL14064757 |
C20H18O6 |
354.35g/mol |
C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
|
TCMBANKIN058585 |
norlobelanine |
isolobelanine |
C21H23NO2 |
321.4 g/mol |
C1CC(NC(C1)CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 |
|
TCMBANKIN058588 |
coixan C |
coixan A |
C17H18FN3O3 |
|
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O |
|
TCMBANKIN058609 |
2-(4-cyclohexylphenoxy)ethanol |
2-(p-cyclohexyl-phenoxy)ethanol; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-omega-hydroxy-; NSC68829; Poly(oxy-1,2-ethanediyl), alpha-(1,1'-biphenyl)-4-yl-omega-hydroxy-; 2-(p-Cyclohexyl-phenoxy)ethanol; p-Phenylphenoxy polyethylene glycol; 1020-00-4; 28761-54-8; Ethanol, 2-(4-cyclohexylphenoxy)-; Ethanol, 2-(p-cyclohexylphenoxy)-; para-Phenylphenoxypolyethylene glycol; alpha-(1,1'-Biphenyl)-4-omega-hydroxypoly(oxy-1,2-ethanediyl) |
C14H20O2 |
220.31 g/mol |
C1CCC(CC1)C2=CC=C(C=C2)OCCO |
|
TCMBANKIN058631 |
stylopine |
stylopine ; AKOS000277993; AC1LF4K6; SCHEMBL14703887; J0JS75Q12Z; BG01035160; l-Tetrahydrocoptisine; tetrahydrocoptisine; 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine; l-Stylopine; MolPort-000-882-001; ZINC20470298; UNII-J0JS75Q12Z; AJ-77777; (1R)-5,7,17,19-TETRAOXA-13-AZAHEXACYCLO[11.11.0.0(2),(1)?.0?,?.0(1)?,(2)(3).0(1)?,(2)?]TETRACOSA-2,4(8),9,15(23),16(20),21-HEXAENE; (-)-Tetrahydrocoptisine; 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)- (9CI); AKOS016023688; Stylopine; (S)-Stylopin; 13a-alpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)- |
C19H17NO4 |
323.34 |
C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
|
TCMBANKIN058632 |
alpha-berbine |
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline; 13aalpha-berbine; (S)-7,8,13,14-Tetrahydroprotoberberine; 131-10-2; C05204; CHEBI:35612; (S)-Tetrahydroprotoberberine; (S)-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine; Tetrahydroprotoberberine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-, (S)-;tetrahydroprotoberberine |
C17H17N |
235.32 g/mol |
C1CN2CC3=CC=CC=C3CC2C4=CC=CC=C41 |
|
TCMBANKIN058641 |
(-)-anonaine |
C09339; 3,5-DIOXA-11-AZAPENTACYCLO[10.7.1.0(2),?.0?,(2)?.0(1)?,(1)?]ICOSA-1(20),2(6),7,14,16,18-HEXAENE; 1862-41-5; SCHEMBL15800852; 3,5-dioxa-11-azapentacyclo[10.7.1.0;{2,6}.0;{8,20}.0;{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaene; 1,2-Methylenedioxynoraporphine; Anonaine; J3.604.525F; Anonain; ACon1_001472; NCGC00180471-01; AC1MR46Q; (-)-Annonaine; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,7-tetrahydro-, (R)-; (+)-Anonaine;anonaine |
C17H15NO2 |
265.31 g/mol |
C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN058954 |
anisolacetone |
1-(p-Methoxyphenyl)-2-propanone (natural); 64861_FLUKA; NSC 22983; 4-08-00-00460 (Beilstein Handbook Reference); 2-Propanone, 1-(4-methoxyphenyl)-; FEMA No. 2674; 122-84-9; Anisyl methyl ketone; p-Methoxybenzyl methyl ketone; InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H; p-Methoxyphenylacetone; ST5406450; 1-(4-Methoxyphenyl)-2-propanone; 1-(p-Anisyl)-2-propanone; 2-Propanone, 1-(p-methoxyphenyl)-; ghl.PD_Mitscher_leg0.658; (p-Methoxyphenyl)-2-propanone; p-Anisylactone; EINECS 204-578-7; AI3-37913; Anisic ketone; 1-(4-methoxyphenyl)propan-2-one; BRN 2044332; 1-(4-methoxyphenyl)acetone; 4'-Methoxyphenyl-2-propanone; p-Acetonylanisole; W267406_ALDRICH; Anisolacetone; anisketone; 199176_ALDRICH; 4-Methoxyphenylacetone; 2-Propanone, (p-methoxyphenyl)-; 1-(p-Methoxyphenyl)-2-propanone; NSC46101; ZINC01848437; NSC22983; 4-Methoxybenzyl methyl ketone; Anisalacetone |
C10H12O2 |
164.2 |
CC(=O)CC1=CC=C(C=C1)OC |
|
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 |
|
TCMBANKIN059076 |
Usaf cs-6 |
Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))- (9CI); (-)-Norephedrine; (R-(R*,S*))-alpha-(1-Aminoethyl)benzyl alcohol; Benzyl alcohol, alpha-(1-aminoethyl)-, (-)-; 492-41-1; Spectrum2_000016; Norephedrine, (-)-; Mydriatin; PDSP2_001333; KBioGR_001385; (1R,2S)-(−)-Norephedrine; Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaR)-; Benzyl alcohol,.alpha.-(1-aminoethyl)-; l-Norephedrine; SPBio_000051; Spectrum4_000983;(-)- Norephedrine Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))-; (R,S)-(-)-Norephedrine; Spectrum5_001156; NSC 17704; Spectrum3_000889; (1R,2S)-2-Amino-1-phenyl-1-propanol; NSC17704; Spectrum_001103; (1R,2S)-Norephedrine; 1-Propanol, 2-amino-1-phenyl-, (-)- (9CI); l-Phenylpropanolamine; KBio3_001778; KBio2_001583; 1-Propanol, 2-amino-1-phenyl-; (1R,2S)-2-amino-1-phenylpropan-1-ol; 74530_FLUKA; (1R,2S)-(-)-Norephedrine; EINECS 207-755-7; PDSP1_001349; L-(−)-Norephedrine; 282553_ALDRICH; KBioSS_001583; Fenilpropanolamina [Italian]; WLN: ZY1&YQR -L; KBio2_006719; erythro-(1R,2S)-Norephedrine; KBio2_004151; (-)-Norephedrin; InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s; (-)- Norephedrine |
C9H13NO |
151.21 |
CC(C(C1=CC=CC=C1)O)N |
|
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 |
|
TCMBANKIN059078 |
Psi-ephedrin |
(1S,2S)-(+)-Pseudoephedrine; AIDS-011904; (1S,2S)-2-Methylamino-1-phenyl-1-propanol; PDSP1_001347; Pseudoephedrinum [INN-Latin]; KBioGR_001763; KBio2_003926; L(+)-psi-Ephedrine; (1S,2S)-Pseudoephedrine, polymer-bound; IDI1_000451; (1S,2S)-()-Pseudoephedrine; NCGC00015408-01; 649031_ALDRICH; Spectrum2_001303; PSEUDOEPHEDRINE; Pseudoefedrina [INN-Spanish]; Pseudoephedrine, (+)-; Isoephedrine; Spectrum4_001162; 82545_FLUKA; Lopac-E-3250; NINDS_000451; 304-87-0; ()-psi-Ephedrine; d-Pseudoephedrine; (+)-(1S,2S)-Pseudoephedrine; (+)-psi-Ephedrine; KBio3_002762; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)- (9CI); Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-; 30987-59-8; C02765; (1S,2S)-Pseudoephedrine; alpha-(1-(Methylamino)ethyl)benzyl alcohol; (+)-threo-Ephedrine; Psi-ephedrine; L-(+)-Pseudoephedrine; 287636_ALDRICH; (+)-Pseudoephedrine; KBioSS_001358; HSDB 3177; psi-Ephedrine, (+)-; BB_NC-1383; (1S,2S)-2-methylamino-1-phenyl-propan-1-ol; (1S,2S)-2-methylamino-1-phenylpropan-1-ol; Spectrum_000878; AIDS011904; (1S,2S)-()-2-Methylamino-1-phenyl-1-propanol; KBio1_000451; ()-Pseudoephedrine; Pseudoephedrine (D); trans-Ephedrine; KBio2_006494; Pseudoephedrine, L-(+)-; alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-; DivK1c_000451; d-psi-Ephedrine; 90-82-4; 37577-31-4; Spectrum3_001771; BSPBio_003261; SPBio_001365; Spectrum5_000650; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaS)-; EINECS 202-018-6; d-psi-2-Methylamino-1-phenyl-1-propanol; d-Isoephedrine; KBio2_001358; NCI60_002955;d-pseudoephedrine;(+)pseudoephedrine;ephedine;1-ephedrine;l-Pseudoephedrine;pseudoephedrine;Eciphin;ephedrine;AC1Q3XJM; (-)-(1R,2R)-Pseudoephedrine; EC 206-292-8; (-)-; (1r,2r)-pseudoephedrine; Pseudoephedrine, (-)-; (R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol; CHEMBL2110905; (+)-EPHEDRINE HYDROCHLORIDE; Opera_ID_462; (1R,2R)-2-Methylamino-1-phenyl-1-propanol; C-33392; LS-125921; (-)-threo-Ephedrine; (1R 2R)-(-)-PSEUDOEPHEDRINE; l-(1R,2R)-Pseudoephedrine; FT-0771224; (1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol; Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-; (-)-Pseudoephedrine 1.0 mg/ml in Methanol; MLS000069657; D(-)-Pseudoephedrine; DTXSID90185895; (1R,2R)-(-)-2-(Methylamino)-1-phenylpropanol; AC1L1Y3M; AC1Q3XJN; (1R,2R)-(-)-Pseudoephedrine; S76J9U46ST; (-)-psi-Ephedrine; Benzenemethanol, alpha-(1-;(-)-(1R,2R)-Pseudoephedrine; (R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol; Pseudoephedrine, (-)-; (1R,2R)-2-Methylamino-1-phenyl-1-propanol; (-)-threo-Ephedrine; (1R,2R)-(−)-Pseudoephedrine; 287644_ALDRICH; l-(1R,2R)-Pseudoephedrine; Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-; (1R,2R)-2-methylamino-1-phenylpropan-1-ol; MLS000069657; (1R,2R)-2-methylamino-1-phenyl-propan-1-ol; (1R,2R)-(-)-Pseudoephedrine; (-)-psi-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,R*))-; CPDD 0049; D-(-)-Pseudoephedrine; (1R,2R)-Ephedrine; (-)-Pseudoephedrine; (−)-Pseudoephedrine; SMR000059174; (1R,2R)-(−)-2-(Methylamino)-1-phenylpropanol; PDSP1_001343; (−)-psi-Ephedrine; 7009-81-6; PDSP1_001346; EINECS 206-292-8; 82547_FLUKA;Symptom 2; Dimetapp Decongestant; AK402032; CoAdvil; 1S,2S-(+)-Pseudoephedrine hydrochloride; Pseudoephedrine, (+)-; (1S,2S)-2-(1/4)x degrees +/->>u-1-+/-(1/2)+/-u (1/4) NIEaNI; PSEUDOEPHEDRINE HYDROCHLORIDE; Dorcol; MLS001304069; BG00603638; Rhinalair; EC 206-462-1; Efidac 24 Pseudoephedrine Hcl; d-I+/-Ae>>AE(1/4)i NIEaNI; SCHEMBL33285; AKOS027383893; NSC-106567; (+)-Pseudoephedrine hydrochloride, >=98%; NSC33634; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))- (9CI); Topcare 12 hour decongestant; Actifed Sinus Daytime; Isoephedrine Hydrochloride; (+)-Pseudoephedrine hydrochloride, Sigma Reference Standard; CPDD 0050; (1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride; HMS1920N04; Pseudoephedrine hydrochloride [USAN]; NSC759616; (+)-; 345-78-8; AN-23411; D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride; d-Pseudoephedrine hydrochloride; API0003970; Pharmakon1600-01500516; SPECTRUM1500516; Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference Standard; psi-Ephedrine Hydrochloride; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride; P1654; Sudomyl; Sudafed 12 Hour; Contac Day & Night Allergy Sinus Day Caplets; x-Ae>>AE(1/4)i NIEaNI; Sudafed Liquid, Children's; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-; Pseudoephedrine, L-(+)-; Benzenemethanol, hydrochloride, [S-(R*,R*)]-; NSC-759616; D00485; Sudafed 24 Hour; Pseudoephedrine hydrochloride [USAN:USP]; Ornex and Maximum Strength Ornex; (+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base); 345P788; LS-125924; Sine-Off Maximum Strength No Drowsiness Formula Caplets; CHEMBL1200724; NSC 33634; Tylenol Sinus Medication, Maximum Strength; Suphedrine; Deconsal II; D-[.alpha.-(1-Methylamino)ethyl]benzyl alcohol hydrochloride; Pseudoephedrine hydrochloride (USP); Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-; Sudafed (TN); (+)-Pseudoephedrine hydrochloride; 56979-55-6; UNII-6V9V2RYJ8N; CHEBI:8604; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride; Histalet Syrup; L-(+)-Pseudoephedrine hydrochloride; NSC-33634; Sun mark sinus; AC1L1TCY; C10H15NO.HCl; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochloride; Pseudoephedrine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material; Tussaphed; Nexafed; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-; First sign; L(+)-Pseudoephedrine hydrochloride; NSC106567; W-106727; Sinufed; Benzenemethanol, hydrochloride, S-(R,R)-; Pseudoephedrine, hydrochloride, L-(+)-; SMR000718787; Otrinol; Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard; Pseudoephedrine Hcl; CCG-39241; NSC 106567; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol hydrochloride; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-; Novafed; Besan; BB_NC-1383; Sudafed hydrochloride; WLN: QYR & Y1 & M1 & GH-L; C-09673; Pseudophedrine hydrochloride; 6272-89-5; 6V9V2RYJ8N; PediaCare Decongestant Drops; d-OiAe>>AE(1/4)i NIEaNI; BALXUFOVQVENIU-KXNXZCPBSA-N; EINECS 206-462-1; Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard;PDSP2_001330; (1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol; AIDS002645; (-)-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-; (1R,2S)-(−)-2-Methylamino-1-phenyl-1-propanol; 1-alpha-(1-Methylaminoethyl)benzyl alcohol; Ephedrine l-form; Ephedrine [USAN:BAN]; 134-72-5(SULFATE 2:1); 50-98-6 (HYDROCHLORIDE); C01575; 45261_FLUKA; D00124; L-(-)-Ephedrine; Ephedremal; (1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol; (1R,2S)-(−)-Ephedrine; NSC 170951; CHEBI:15407; (1R,2S)-2-methylamino-1-phenyl-propan-1-ol; Ephedral; AIDS-002645; Ephedrine (TN); 50906-05-3 (HEMIHYDRATE); AI3-02761; 134910_ALDRICH; L-Ephedrine; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-; Ephedrine; NSC 8971; (1R,2S)-2-methylamino-1-phenylpropan-1-ol; 6912-63-6; 6912-63-6 (DELETED); HSDB 3072; (1R,2S)-2-Methylamino-1-phenyl-1-propanol; Ephedrine (USP); (−)-Ephedrine; EINECS 206-080-5; alpha-Hydroxy-beta-methyl amine propylbenzene; L-erythro-2-(methylamino)-1-phenylpropan-1-ol; 1-Phenyl-1-hydroxy-2-methylaminopropane; 2-Methylamino-1-phenyl-1-propanol; PDSP2_001327; alpha-Hydroxy-beta-methylaminopropylbenzene; (L)-EPHEDRINE; 1-2-Methylamino-1-phenylpropanol; l-alpha-(1-Methylaminoethyl)benzyl alcohol; (1R,2S)-(−)-alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-; (-)-alpha-(1-Methylaminoethyl)benzyl alcohol; 1-Sedrin; 321-96-0; Lopac0_000501; (1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane; alpha-(1-(Methylamino)ethyl)benzenemethanol; 321-96-0 (DELETED); 299-42-3; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; Biophedrin;SCHEMBL8098202; CHEMBL1620154; ephedrine ; (s)-2-methylamino-1-phenylpropan-1-ol; (1S)-1-Phenyl-2-(methylamino)-1-propanol |
C10H15NO |
165.23 |
CC(C(C1=CC=CC=C1)O)NC |
|
TCMBANKIN059087 |
Synox TBC |
4-tert-butylbenzene-1,2-diol; 23193_RIEDEL; 1,2-Dihydroxy-4-tert-butylbenzene; 4-06-00-06014 (Beilstein Handbook Reference); 4-tert-Butyl-1,2-benzenediol; 23195_RIEDEL; p-t-Butylpyrocatechol; 4-tert-Butylpyrocatechol; 4-tert-Butyl-pyrocatechol; p-tert-Butylpyrocatechol; WLN: QR BQ DX1 & 1 & 1; 23194_RIEDEL; 4-tert-Butyl-1,2-dihydroxybenzene; 4-tert-Butylcatechol solution; p-tert-Butyl catechol; 19671_FLUKA; NSC5310; AIDS-017768; 4-T-BUTYLCATECHOL; NSC 5310; 4-t-Butylpyrocatechol; CCRIS 3332; EINECS 202-653-9; AI3-24363; NCGC00091483-01; 19670_FLUKA; 4-tert-Butylcatechin; 03865_FLUKA; ZINC00388150; 4-tert-Butylpyrokatechin [Czech]; 4-TBC; NCGC00091483-02; AIDS017768; 1,2-Benzenediol, 4-(1,1-dimethylethyl)-; 98-29-3; 124249_ALDRICH; p-tert-Butylcatechol; t-Butyl catechol; Pyrocatechol, 4-tert-butyl-; 4-tert-Butylcatechol; BRN 2043335;4-[1,1-Dimethylethyl]-1,2-benzenediol |
C10H14O2 |
166.22 |
CC(C)(C)C1=CC(=C(C=C1)O)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 |
|
TCMBANKIN059165 |
isomicropinic acid;sugiol |
(4aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one; AC1NT0MY; 7-carbonyl-12-hydroxy-dehydroabietane; 1,1,4abeta-Trimethyl-6-hydroxy-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-one; SCHEMBL17407685 |
C20H28O2 |
300.44 |
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O |
|
TCMBANKIN059167 |
C09092 |
ACon1_000701; MEGxp0_000699; (4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol; (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol; 514-62-5; ferruginol; 8,11,13-abietatrien-12-ol; erruginol; (+)-8,11,13-abietatrien-12-ol; AC1LAVG6; SCHEMBL5315022; ferruginol ; 4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol; 4CN-1292; Abieta-9(11),8(14),12-trien-12-ol; AC1LAVG6; SCHEMBL5315022; ferruginol ; 4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol; 4CN-1292; Abieta-9(11),8(14),12-trien-12-ol |
C20H30O |
286.5 g/mol |
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C)O |
|
TCMBANKIN059168 |
Tryptophenolide |
KBio1_001606; KBio2_007338; KBio3_002756; Spectrum2_001618; KBio2_004770; KBio2_002202; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; BSPBio_003528; SDCCGMLS-0066775.P001; hypolide; (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one; Spectrum4_001660; Spectrum5_000539; SPECTRUM1504005; DivK1c_006662; SPBio_001655; Triptophenolide; (3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; KBioGR_002159; Spectrum_001722; Spectrum3_001928; 74285-86-2; SpecPlus_000566; KBioSS_002202 |
C20H24O3 |
312.4 g/mol |
CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O |
|
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 |
|
TCMBANKIN059171 |
(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
triptonoterpenol;(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one; (1R,4aR,10aS)-5-hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-1-methylol-4,9,10,10a-tetrahydro-3H-phenanthren-2-one; 110187-23-0; 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4aalpha,10abeta))- |
C21H30O4 |
346.46 |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC(=O)C3(C)CO)C)O |
|
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 |
|
TCMBANKIN059177 |
Cumic acid; p-isopropyl benzoic acid |
4-propan-2-ylbenzoate; p-cumic acid; c0378; NSC1907; Benzoic acid, 4-(1-methylethyl)-; cumic acid; CHEBI:28122; AI3-17970; Cuminic acid; p-Cumate; I103; 4-(propan-2-yl)benzoate; ST5135967; EINECS 208-642-5; 4-Isopropylbenzoic acid; AC1MPX3C; CHEBI:25822; 4-isopropylbenzoate; 4-09-00-01843 (Beilstein Handbook Reference); p-cymen-7-oic acid; A829718; 4-(1-methylethyl)benzoate; AIDS-018015; NSC20083; AIDS018015; NSC 1907; ZB005133; cumicacid; C06578; p-Isopropylbenzoic acid; 4-Isopropylbenzene-1-carboxylate; 536-66-3; 4-(propan-2-yl)benzoic acid; 4-propan-2-ylbenzoic acid; Benzoic acid, p-isopropyl- (8CI); 4-(1-Methylethyl)benzoic acid; 268402_ALDRICH; Benzoic acid, p-isopropyl-; CJ-01136; BRN 1907514 |
C10H12O2 |
164.2 g/mol |
CC(C)C1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN059184 |
Dehydromiltirone |
3,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-; AC1MIZGJ; 7,8-Dihydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; SCHEMBL13568177; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-dione; 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-3,4-dione; 2-isopropyl-8,8-dimethyl-7H-phenanthrene-3,4-quinone; 1,2-Didehydromiltirone; 2-ISOPROPYL-8,8-DIMETHYL-7H-PHENANTHRENE-3,4-DIONE; 116064-77-8; DTXSID50151273; BG00988852; dehydromiltirone; 9186AF; MolPort-039-141-877; ZINC14594276;280.4 g/mol |
C19H20O2 |
280.36 |
CC(C)C1=CC2=C(C3=C(C=C2)C(CC=C3)(C)C)C(=O)C1=O |
|
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 |
|
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 |
|
TCMBANKIN059313 |
methyl-7-epiganoderate |
methyl 6-[(10S,13R,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate; AC1NSYD7;methyl ganoderate a;methyl ganoderate A |
C31H46O7 |
530.7 g/mol |
CC(CC(=O)CC(C)C(=O)OC)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C)O |
|
TCMBANKIN059329 |
(+)-Anwulignan |
SMR000445701; MLS000728494; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol; 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol;macelignan |
C20H24O4 |
328.4 g/mol |
CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC |
|
TCMBANKIN059401 |
2-Phenylbutenal |
|
C10H10O |
146.19 |
CC=C(C=O)C1=CC=CC=C1 |
|
TCMBANKIN059438 |
2-methoxy-4-propenyl phenol |
|
C10H12O2 |
164.2 g/mol |
CC=CC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN059440 |
Isohomogenol |
|
C11H14O2 |
178.23 g/mol |
CC=CC1=CC(=C(C=C1)OC)OC |
|
TCMBANKIN059441 |
beta-asarone |
|
C12H16O3 |
208.25 g/mol |
CC=CC1=CC(=C(C=C1OC)OC)OC |
|
TCMBANKIN059446 |
acuminatin |
|
C21H24O4 |
340.4 g/mol |
CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN059449 |
Izosafrol |
|
C10H10O2 |
162.19 |
CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059452 |
ethyl aldehyde |
|
C2H4O |
44.05 g/mol |
CC=O |
|
TCMBANKIN059491 |
Phaseolin |
|
C20H18O4 |
322.35 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)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 |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059716 |
4-(2,6,6- trimethyl- 1- cyclohexen- 1- yl)- 3-buten-2- one |
|
C13H20O |
192.3 g/mol |
CC1=C(C(CCC1)(C)C)C=CC(=O)C |
|
TCMBANKIN059724 |
Phenol, 2-methyl-5-(1-methylethyl) |
|
C10H14O |
150.22 g/mol |
CC1=C(C=C(C=C1)C(C)C)O |
|
TCMBANKIN059725 |
Methyl carvacrol |
|
C11H16O |
164.24 g/mol |
CC1=C(C=C(C=C1)C(C)C)OC |
|
TCMBANKIN059735 |
Biosol |
|
C10H14O |
150.22 g/mol |
CC1=C(C=CC(=C1)O)C(C)C |
|
TCMBANKIN059758 |
triptinin a |
|
C21H28O3 |
328.45 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O |
|
TCMBANKIN059811 |
guaiazulene |
|
C15H18 |
198.3 g/mol |
CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
|
TCMBANKIN059827 |
phenol,2,6-bis(1,1-dimethylethyl)-4-methyl |
|
C15H24O |
220.35 g/mol |
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
|
TCMBANKIN059829 |
3,4,5-Trimethoxytoluene |
|
C10H14O3 |
182.22 |
CC1=CC(=C(C(=C1)OC)OC)OC |
|
TCMBANKIN059836 |
thymol |
|
C10H14O |
150.22 |
CC1=CC(=C(C=C1)C(C)C)O |
|
TCMBANKIN059837 |
methyl thymyl ether |
|
C11H16O |
164.24 g/mol |
CC1=CC(=C(C=C1)C(C)C)OC |
|
TCMBANKIN059838 |
Acetylthymol |
|
C12H16O2 |
192.25 g/mol |
CC1=CC(=C(C=C1)C(C)C)OC(=O)C |
|
TCMBANKIN059906 |
ar-tumerone |
|
C15H20O |
216.32 g/mol |
CC1=CC=C(C=C1)C(C)CC(=O)C=C(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 |
|
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 |
|
TCMBANKIN059950 |
Cadalin |
|
C15H18 |
198.3 |
CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C |
|
TCMBANKIN059952 |
Phlegmariuine-N |
|
C11H11NO |
173.21 |
CC1=CC2=C(C=CC=N2)C(=C1O)C |
|
TCMBANKIN059975 |
β-humulene |
|
C15H24 |
204.35 |
CC1=CCC(C=CCC(=C)CCC1)(C)C |
|
TCMBANKIN059979 |
calacorene |
|
C15H20 |
200.32g/mol |
CC1=CCC(C2=C1C=CC(=C2)C)C(C)C |
|
TCMBANKIN059985 |
alpha-terpinol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)C(C)(C)O |
|
TCMBANKIN059999 |
beta-Chamigrene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CC1)C(=C)CCCC2(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 |
|
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
|
TCMBANKIN060047 |
Dehydrotanshinone II A |
|
C19H16O3 |
292.33 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CCC4(C)C |
|
TCMBANKIN060056 |
atractylone;atractylon |
|
C15H20O |
216.32 |
CC1=COC2=C1CC3C(=C)CCCC3(C2)C |
|
TCMBANKIN060274 |
Bisasarcin |
|
C24H32O6 |
416.51 |
CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C |
|
TCMBANKIN060288 |
Phenol, 4,4'-((2R,3R,4S,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-, rel- |
|
C20H24O5 |
344.4 g/mol |
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
|
TCMBANKIN060290 |
Galgravin;di-o-methyltetrahydrofuriguaiacin b;(?)-galbelgin;saucernetin;(±)-galgravin;Veraguensin;(+)-galbelgin |
|
C22H28O5 |
372.45 |
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C |
|
TCMBANKIN060325 |
kadsurenone |
|
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060361 |
yuanhunine |
|
C21H25NO4 |
355.4 g/mol |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)OC)OC |
|
TCMBANKIN060362 |
corybulbine |
|
C21H25NO4 |
355.43 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)O)OC |
|
TCMBANKIN060364 |
thalictrifoline |
|
C21H23NO4 |
353.41 |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC5=C4OCO5)OC)OC |
|
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 |
|
TCMBANKIN060418 |
Gomisin T |
|
C23H30O6 |
402.5 g/mol |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)O |
|
TCMBANKIN060419 |
(-)-Gomisin L2 |
|
C22H26O6 |
386.44 |
CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3CC1C)OCO4)OC)OC)OC)O |
|
TCMBANKIN060420 |
Isoguaiacin |
|
C20H24O4 |
328.4 |
CC1CC2=CC(=C(C=C2C(C1C)C3=CC(=C(C=C3)O)OC)O)OC |
|
TCMBANKIN060425 |
Deoxygomisin A |
|
C23H28O6 |
400.5 g/mol |
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3 |
|
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=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 |
|
TCMBANKIN060633 |
PPI |
|
C3H6O2 |
74.08 g/mol |
CCC(=O)O |
|
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
|
TCMBANKIN060731 |
4-ethylguaiacol |
|
C9H12O2 |
152.19 g/mol |
CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060751 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN060757 |
hirsutine |
|
C22H28N2O3 |
368.5 g/mol |
CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
|
TCMBANKIN060786 |
BdPh |
|
C12H12O2 |
188.22 g/mol |
CCCC=C1C2=CC=CC=C2C(=O)O1 |
|
TCMBANKIN060796 |
Cerulignol |
|
C10H14O2 |
166.22g/mol |
CCCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060801 |
Valerophenone |
|
C11H14O |
162.23 |
CCCCC(=O)C1=CC=CC=C1 |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN060889 |
delta(9)-tetrahydrocannabinol |
|
C21H30O2 |
314.5 g/mol |
CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O |
|
TCMBANKIN060891 |
2-Amyl furan |
|
C9H14O |
138.21 g/mol |
CCCCCC1=CC=CO1 |
|
TCMBANKIN060892 |
tetrahydrocannabinol delta8 |
|
|
|
CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O |
|
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
|
TCMBANKIN061006 |
lauric acid |
|
C12H24O2 |
200.32 |
CCCCCCCCCCCC(=O)O |
|
TCMBANKIN061032 |
phorbol 12-myristate 13-acetate |
|
C8H8HgO2 |
616.8 g/mol |
CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C |
|
TCMBANKIN061045 |
PENTADECYLIC ACID |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061258 |
ethyl benzoate;WLN: 2OVR |
|
C9H10O2 |
150.17 g/mol |
CCOC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061273 |
1-ethoxy-4-methylbenzene |
|
C9H12O |
136.19 g/mol |
CCOC1=CC=C(C=C1)C |
|
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 |
|
TCMBANKIN061289 |
hordenine |
|
C10H15NO |
165.23g/mol |
CN(C)CCC1=CC=C(C=C1)O |
|
TCMBANKIN061290 |
MeODMT;n,n-dimethyl-5-methoxy tryptamine |
|
C13H18N2O |
218.29 |
CN(C)CCC1=CNC2=C1C=C(C=C2)OC |
|
TCMBANKIN061298 |
GoshuyuamideII |
|
C19H17N3O2 |
319.39 |
CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43 |
|
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 |
|
TCMBANKIN061309 |
(+/-)-Homochelidonine |
|
C21H23NO5 |
369.4 g/mol |
CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5 |
|
TCMBANKIN061320 |
cryptopine |
|
C21H23NO5 |
369.41 |
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC |
|
TCMBANKIN061321 |
n-methyl-corypalline |
|
C12H17NO2 |
207.27 g/mol |
CN1CCC2=CC(=C(C=C2C1)OC)OC |
|
TCMBANKIN061324 |
d-reticuline |
(S)-(+)-reticuline; (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; CHEBI:16718; 485-19-8; (1S)-1-(3-hydroxy-4-methoxy-benzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (+)-Reticuline; (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; C02105;CHEBI:17428; AC1L99KR; (R)-(-)-reticuline; (1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; AK552295; (1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; C05178; FT-0699770; MFCD28556897; ZINC901258; DTXSID80331501; L-Reticuline; CHEMBL401501; AKOS030242061; (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-Reticuline; (-)-reticuline; SCHEMBL9587509; NCGC00247617-01; 3968-19-2; (R)-Reticuline (>80% ee); CTK1C2641; (S)-Reticuline;reticuline;reticulin |
C19H23NO4 |
329.4 g/mol |
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
|
TCMBANKIN061326 |
(R)-N-Methylcoclaurine |
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (1R)-; 1betaH-Coclaurine, 2-methyl-; 5096-70-8; AIDS-226940; (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (R)-; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; C05243; (-)-1(R)-N-Methylcoclaurine; AIDS226940; d-n-methyl coclaurine |
C18H21NO3 |
299.36 |
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
|
TCMBANKIN061330 |
Luteanin |
Artabotrin; Spectrum5_000378; BSPBio_000474; AIDS-138466; KBio2_004255; SPBio_000352; Prestwick1_000597; 545368_ALDRICH; KBio2_006823; Spectrum_001207; 6aalpha-Aporphin-11-ol, 1,2,10-trimethoxy- (8CI); KBio1_001557; BSPBio_002533; 1,2,10-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol; 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)- (9CI); KBio3_001753; Prestwick3_000597; KBio2_001687; d-Isocorydine; NSC645316; SBB005942; Prestwick2_000597; 5-21-06-00132 (Beilstein Handbook Reference); NCGC00016453-02; S-(+)-Isocorydine; Luteanine (VAN); KBioSS_001687; 6a-alpha-APORPHIN-11-OL, 1,2,10-TRIMETHOXY-; Isocorydine; Spectrum2_000566; ()-Isocorydine; SpecPlus_000517; SDCCGMLS-0066694.P001; BPBio1_000522; AIDS138466; CAS-475-67-2; Luteanine; BRN 0094792; Prestwick_281; Isocorydine (+); NSC 645316; KBioGR_001998; Prestwick0_000597; C09549; Artabotrine; TNP00260; L-(+)-Isocorydine; NSC 32979; Lindcarpine, N,O-dimethyl-; SPECTRUM1500860; DivK1c_006613; Aporphin-11-ol, 1,2,10-trimethoxy-; 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-; SPBio_002693; Spectrum4_001699; NCGC00016453-01; Spectrum3_000717; 475-67-2; Uzokoridin; NCGC00142508-01;isocorydine;AC1OCG6Z; (-)-tramadol(1+); FT-0675348; ZB000501; [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium; (S,S)-tramadol(1+); {[(1S,2S)-2-HYDROXY-2-(3-METHOXYPHENYL)CYCLOHEXYL]METHYL}DIMETHYLAZANIUM; [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium; CHEBI:75738 |
C20H23NO4 |
341.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
|
TCMBANKIN061331 |
Corydine |
4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (S)-; IDQUPXZJURZAGF-UHFFFAOYSA-N; 2,10,11-Trimethoxy-6a.alpha.-aporphin-1-ol; (+)-(S)-Corydine; MCULE-2539231400; STOCK1N-48890; DL-Corydine; NSC688261; (6Ars)-5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-1-ol; 2505-56-8; corydine; 1-Hydroxy-2,10,11-trimethoxy-6a.alpha.-aporphine; NP-011329; d-Corydine; AC1L390N; Glaucentrine; Glaucentrin; Corytuberine methyl ether; 5-21-06-00134 (Beilstein Handbook Reference); (S)-(+)-Corydine; NCGC00384558-01!2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol; 3,4,15-TRIMETHOXY-10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAEN-16-OL; (+)-Corydine; 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-; AKOS016023672; CHEMBL2002847; NSC-688261; MolPort-001-742-663; O(sup 11)-Methylcorytuberine; O(11)-Methylcorytuberine; 6a-alpha-APORPHIN-1-OL, 2,10,11-TRIMETHOXY-; NCI60_031859; SCHEMBL11250050; BRN 0095568; 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,10,11-trimethoxy-6-methyl-, (6aS)-; Corydine, (+/-)-; (+/-)-Corydine; 6a.alpha.-Aporphin-1-ol, 2,10,11-trimethoxy-; 2,10,11-Trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (S)- #; corydin(e); (+)-corydine |
C20H23NO4 |
341.4 |
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC |
|
TCMBANKIN061333 |
Izoteolin |
Isoteolin; ST057702; 4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)-; 95508-61-5; TNP00331; C09541; NCGC00142559-01; Isoboldine; Isoteoline; 6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-; NCGC00017381-01; isoboldine |
C19H21NO4 |
327.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
|
TCMBANKIN061334 |
glaucine |
AC1LL50T; (R)-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinoline; 38325-02-9; ZINC792622; EINECS 253-881-0; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (R)-; FT-0698454; (?)-Glaucine; RUZIUYOSRDWYQF-OAHLLOKOSA-N; l-Glaucine; DTXSID70191691; (R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline; Glauvent ;(-)-glaucine; Bromcholitin; (+)-Glaucine; AIDS011385; GLAUCINE,(D); Glaucine; 6a.alpha.-Aporphine, 1,2,9,10-tetramethoxy-; NSC34396; S-(+)-Glaucine; C09446; Glaucine fumarate; BB_NC-0833; d-Glaucine; 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (S)-; Boldine dimethyl ether; 475-81-0; AIDS-011385 |
C21H25NO4 |
355.43 |
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)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 |
|
TCMBANKIN061342 |
Nantenin |
2565-01-7; 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline; Domesticine, O-methyl-; Nantenine; InChI=1/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H; 6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-; Domestine; 4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-; o-Methyldomesticine; CCRIS 3807;o-methyl domesticine |
C20H21NO4 |
339.4 g/mol |
CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC |
|
TCMBANKIN061354 |
Fumarine |
C05189; TNP00339; 7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one; ST036759; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; HSCI1_000268; EINECS 204-999-6; AIDS-040935; Corydinine; 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one; Oprea1_722246; NCGC00142402-01; Biflorine; Macleyine; 130-86-9; NCGC00017389-01; 7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-; Alk-3; 6164-47-2 (HCL); Oprea1_718853; AIDS040935; 7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one; HSDB 3527; CHEBI:16415; AI3-62909; ACon1_001550; DTXSID00178935; Bis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; Bis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one,5,7,8,15-tetrahydro-6-methyl-; AC1L4H3I; CHEMBL486179; 14-METHYL-7,9,20,22-TETRAOXA-14-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(3)]TETRACOSA-1(24),4,6(10),11,17,19(23)-HEXAEN-2-ONE; CTK4F3162; MCULE-2865552640; BDBM50377937; 24240-05-9; AC1Q6P91; NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; C20H19NO5; protopine ; Pseudoprotopine; MolPort-028-610-216; 6-methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6h)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-; ZINC31502517; protopine |
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
|
TCMBANKIN061355 |
24240-05-9;pseudoprotopine |
|
C20H19NO5 |
353.37 |
CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3 |
|
TCMBANKIN061359 |
C09367 |
PDSP2_000621; 298-45-3; CHEBI:3211; D04GRS; DTXSID20183940; AKOS000276822; 9126AF; 298-45-3; (S)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinolin-12-ol; O0TGI865QO; EINECS 206-061-1; Bulbocapnin; SCHEMBL678694; (S)-BULBOCAPNINE; ACM298453; AC1Q703Q; AC1L1ZLR; ZINC103; (7aS)-11-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol; C09367; BG01614143; Buibocapnine hydrochloride; Bulbocapnine; PDSP2_000621; Bulbokaprin; 11-Methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinolin-12-ol (Bulbocapnine); CHEMBL157912; 6a-alpha-APORPHIN-11-OL, 10-METHOXY-1,2-(METHYLENEDIOXY)-; Ambap298-45-3; BDBM50016018; 632-47-3; UNII-O0TGI865QO; bulbocapnine |
C19H19NO4 |
325.4 g/mol |
CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
|
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 |
|
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 |
|
TCMBANKIN061380 |
Dimethyl anthranilate |
2-Methylaminomethyl benzoate; 85-91-6; BENZOIC ACID METHYL ESTER,2-METHYLAMINO (N-METHYL-ANTHRANILIC ACID METHYL ESTER); Benzoic acid, 2-(methylamino)-, methyl ester; SMR000112458; 65820_FLUKA; AI3-03340; EINECS 201-642-6; Anthranilic acid, N-methyl-, methyl ester; BRN 0607217; Methyl methanthranilate; Methyl-N-methylanthranilate; Methyl o-(methylamino)benzoate; FEMA No. 2718; 4-14-00-01016 (Beilstein Handbook Reference); methyl 2-methylaminobenzoate; W271802_ALDRICH; ZINC00157414; Methyl methylanthranilate; HSDB 2784; Methyl 2-(methylamino)benzoate; NSC9406; N-Methylanthranilic acid, methyl ester; Dimethyl anthranilate (natural);benzoicacid 2-methyl amino methyl ester MLS000515990; InChI=1/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H; N-Methyl methyl anthranilate; W271810_ALDRICH; 2-methylaminobenzoic acid methyl ester; WLN: 1OVR BM1; Methyl methylaminobenzoate; ST5407122; Methyl N-methyl-o-anthranilate; CCRIS 2846; NSC 9406; Methyl N-methylanthranilat;benzoic acid 2-methylaminomethylester |
C9H11NO2 |
165.19 |
CNC1=CC=CC=C1C(=O)OC |
|
TCMBANKIN061383 |
Phenylephrine |
Carney glycosides |
C9H13NO2 |
167.2 g/mol |
CNCC(C1=CC(=CC=C1)O)O |
|
TCMBANKIN061421 |
benzeneaceticacid,methylester |
Methyl phenylacetate;I14-7331; Methyl .alpha.-toluate; methy phenylacetate; Tox21_300792; EC 202-940-9; ANW-14465; EBD50083; ACMC-2097v7; BB_SC-7169; CAS-101-41-7; KB-54814; CHEMBL3189123; 101-41-7; CS-W018528; RTR-000377; MCULE-9593207528; D4PDC41X96; ZINC00388061; FT-0653159; SCHEMBL4675; AK163377; CJ-03094; alpha-phenylacetic acid methyl ester; KSC175C1T; NCGC00248170-01; SC-26761; Phenylacetic acid methyl; Methyl alpha-toluate; Phenylacetic acid methyl ester; benzene acetic acid methyl ester; FEMA 2733; TR-000377; Mephaneine; MolPort-001-788-281; STL146152; Acetic acid, phenyl-, methyl ester; AKOS000119976; BBL010506; DSSTox_CID_24352; Methyl phenylacetate, >=98%, FCC, FG; Methyl benzeneethanoate; METHYL PHENYLACETATE; InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H; KS-00000GN1; AC1Q5ZUJ; 2-Phenylacetic acid methyl ester; Methyl 2-phenyl acetate; ZINC388061; EINECS 202-940-9; SBB058223; Methyl phenylacetate, ReagentPlus(R), >=99%; DSSTox_GSID_44352; MFCD00008453; ZB011258; Methyl benzene acetate; Methyl phenylethanoate; Methyl phenylacetate, Vetec(TM) reagent grade, 98%; NSC-9405; 78540_FLUKA; UNII-D4PDC41X96; LS-2954; NSC 401667; Methyl benzeneacetate; NSC-401667; FEMA No. 2733; AN-24576; TRA-0184135; NSC401667; CRZQGDNQQAALAY-UHFFFAOYSA-N; DTXSID1044352; Phenylacetic acid, methyl ester; DSSTox_RID_80161; P0125; methyl 2-phenylethanoate; RP17360; AB1011175; Methyl ester of Phenylacetic acid; methyl phenyl acetate; 108057_ALDRICH; WLN: 1OV1R; AC1L1P1D; Benzeneacetic acid, methyl ester; METHYLPHENYLACETATE; CTK0H5119; Methyl phenylacetate, analytical standard; ST50824226; Phenyl-acetic acid methyl ester; Methyl 2-phenylacetate; NCGC00254696-01; ST24047740; Methyl alpha-toluate; methyl phenylacetate; NSC9405; AI3-01971; 2-phenylacetic acid methyl ester; W273309_ALDRICH; Phenylacetic Acid Methyl Ester |
C9H10O2 |
150.17 g/mol |
COC(=O)CC1=CC=CC=C1 |
|
TCMBANKIN061437 |
Mucronulatol |
(3S)-mucronulatol;mucronulatol; 20878-97-1; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-7-chromanol; (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)chroman-7-ol; C10507; (3S)-3-(3-hydroxy-2,4-dimethoxy-phenyl)chroman-7-ol |
C17H18O5 |
302.32 |
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)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 |
|
TCMBANKIN061453 |
31098-60-9 |
mecambridine;(-)-mecambridine;27341-28-2; 6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine-12-methanol, 5,8,13,13a-tetrahydro-10,11,14-trimethoxy-, (S)- |
C22H25NO6 |
399.44 |
COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)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 |
|
TCMBANKIN061459 |
1,2,3-trimethoxybenzene |
1,2,3-trimethoxy-benzene;634-36-6; 92159_FLUKA; 137995_ALDRICH; NSC10124; NSC 10124; ZINC00152503; ST5406631; Benzene, 1,2,3-trimethoxy-; Tri-O-methylpyrogallol; Pyrogallol trimethyl ether; AI3-02077; Methylsyringol (VAN); EINECS 211-207-2; 1,2,3-Trimethoxybenzene |
C9H12O3 |
168.19 g/mol |
COC1=C(C(=CC=C1)OC)OC |
|
TCMBANKIN061469 |
isoferulic acid |
4CH-004345; KBio3_001774; NSC-51987; 4FE; Spectrum3_000887; 25522-33-2; ST098721; FCH3451845; AX8011852; 537-73-5; V0307; CHEBI:27794; Bio-0194; 3-Hydroxy-4-methoxycinnamate; KBio2_004107; CS-W020120; (E)-3'-Hydroxy-4'-methoxycinnamic acid; ZINC156055; 3-Hydroxy-4-methoxycinnamic acid; BRN 2212760; M-2347; SpecPlus_000233; 2-Propenoic acid,3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; C10470; SCHEMBL249041; N1393; 4-10-00-01777 (Beilstein Handbook Reference); QURCVMIEKCOAJU-HWKANZROSA-N; XSQ2K2G7MC; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97%; EINECS 208-676-0; Spectrum4_000979; 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid; NCGC00247490-01; 3-hydroxy-4-methoxy-Cinnamate; 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid; AK676011; AM20040660; Isoferulate; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; 3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(3-hydroxy-4-methoxyphenyl)acrylic acid; AC1LEHK0; PubChem8187; ST2404733; Cinnamic acid, 3-hydroxy-4-methoxy-; 2-Hydoxy-4-methoxy-5-sulfobenzophenone; KBioSS_001539; UNII-XSQ2K2G7MC; TX-011905; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans; 3-hydroxy-4-methoxy-cinnamic acid; 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Z2693271860; HMS2268G06; BG01510484; SMR001215828; GTPL7980; ST5135831; 103012_ALDRICH; BBV-025077; BDBM50241245; SC-05161; (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; AC1Q4691; MolPort-000-490-526; (E)-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid; CI-177; isoferulic acid ; KBio2_006675; AX8329161; AC1Q5T96; MFCD00004391; EINECS 247-071-6; DivK1c_006329; Q-100609; AC1Q5RAQ; FCH089654; Hesperetic acid; 537H735; KBio1_001273; KBioGR_001357; AK-88788; MLS000563054; Hesperetate; I01-2711; bmse000618; trans-Isoferulic acid, analytical standard; (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Spectrum_001059; AKOS000141174; (E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; RP25302; Cinnamic acid, 3-hydroxy-4-methoxy- (8CI); STR05122; SBB042817; Isoferulasaure; MS-11465; AB0019799; D04EWW; Isoferulic acid; 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-Hydroxy-4-methoxycinnamic-acid; (2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid #; (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; AC1Q4690; NSC51987; AJ-13677; KBio2_001539; Hespertitinic acid; NSC 51987; DB07109; EN300-50983; SCHEMBL249042; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-; CHEMBL233295; KB-182983; 3-(3-hydroxy-4-methoxyphenyl)-2-Propenoate; MCULE-7013523945;hespereticacid |
C10H10O4 |
194.18 |
COC1=C(C=C(C=C1)C=CC(=O)O)O |
|
TCMBANKIN061491 |
luteolin- 3',4',7-trimethyl ether |
5-hydroxy-7,3',4'-trimethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-4-chromenone; AIDS-218320; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one; AIDS218320; 29080-58-8; 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one; 5-hydroxy-7,3 ', 4'-trimethoxy flavone |
C18H16O6 |
328.3 g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
|
TCMBANKIN061495 |
Tetramethoxyluteolin |
ZINC01081533; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromone; 5,7,3',4'-Tetramethylluteolin; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one; 855-97-0; Luteolin tetramethylether; 3',4',5,7-Tetramethyl-luteolin; ST5309218; 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromen-4-one; 3',4',5,7-Tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-chromenone |
C19H18O6 |
342.34g/mol |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC |
|
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 |
|
TCMBANKIN061508 |
methyleugenol |
29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene |
C11H14O2 |
178.23g/mol |
COC1=C(C=C(C=C1)CC=C)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 |
|
TCMBANKIN061550 |
Machiline |
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline; (1R)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; D-Coclaurine; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1R)-; AIDS226939; CHEBI:27482; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol; (+)-1(R)-Coclaurine; (R)-Coclaurine; (+)-Coclaurine; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-, (R)-; AIDS-226939; 2196-60-3; C06349; d-coclaurine |
C17H19NO3 |
285.34 g/mol |
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
|
TCMBANKIN061555 |
l-SPD |
(-)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; GTPL8370; 0UPX3E69W8; Q-100198; KB-211381; (13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol; 16562-13-3; l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine; stepholidine; AJ-80945; ST24036048; 6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI); FT-0628017; CS-1253; (S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol; DIB014; BDBM50378584; AK-60162; S-Stepholidine; UNII-0UPX3E69W8; D0L7OM; 3,9-Dimethoxy-13a-alpha-berbine-2,10-diol; 13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-; ANW-61130; A-Berbine-2,10-diol; X1178; BG01616132; AX8032195; 3,9-Dimethoxy-13a; ZINC22066528; CTK8B8727; L-(S)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; SCHEMBL10001966; W-5088; CHEMBL487387; (-)-Stepholidine; HY-17415; 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-; l-Stepholidine; MolPort-020-005-719; AC1OCEV4; TR-007130; l-SPD |
C19H21NO4 |
327.37 |
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O |
|
TCMBANKIN061558 |
laurolitsine |
(+)-Norboldine; CHEMBL487388; AC1L2JVN; 568-39-8; LS-97013; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine; Laurolistine; [(+)-norboldine]; MFCD06809897; UNII-5MT88IS14F; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 890L186; (S)-1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; API0008028; Norboldine; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; DTXSID30207641; C16984; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 5MT88IS14F; D09GXL; BDBM50292446; (9S)-4,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAENE-5,15-DIOL; CHEBI:66557; ZINC2559362; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; (6aS)-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; Norboldine; 1,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol; AIDS161652; 4H-dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Dimethoxy-1,10 dihydroxy-2,9 nor-aporphine [French]; 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-, (6aS)-; AIDS-161652; 6a-alpha-NORAPORPHINE-2,9-DIOL, 1,10-DIMETHOXY-; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-; Laurolitsine; 5890-18-6; 1,10-Dimethoxy-6a-alpha-noraporphine-2,9-diol; norboldine; InChI=1/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H; 568-39-8 |
C18H19NO4 |
313.3 g/mol |
COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O |
|
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 |
|
TCMBANKIN061568 |
EUG |
4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL |
C9H10O2 |
150.17 |
COC1=C(C=CC(=C1)C=C)O |
|
TCMBANKIN061577 |
FER |
Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid |
C10H10O4 |
194.18 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
|
TCMBANKIN061586 |
trans-coniferyl alcohol |
Coniferyl alcohol;Coniferol;Oprea1_201369; 27740_FLUKA; 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl), (E)-; 4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenol; 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol; 458-35-5; 4-(3-Hydroxy-1-propenyl)-2-methoxyphenol; 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl)-; ST5330606; ZINC01532694; ZINC01532693; 4-(3-hydroxyprop-1-enyl)-2-methoxyphenol; C00590; CHEBI:17745; 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol; 223735_ALDRICH; Coniferyl alcohol; 4-(3-hydroxyprop-1-enyl)-2-methoxy-phenol; 4-Hydroxy-3-methoxycinnamyl alcohol |
C10H12O3 |
180.2 g/mol |
COC1=C(C=CC(=C1)C=CCO)O |
|
TCMBANKIN061640 |
obtustyrene |
21148-31-2; Phenol, 3-methoxy-4-(3-phenyl-2-propenyl)-, (E)-; 3-methoxy-4-[(E)-3-phenylprop-2-enyl]phenol |
C16H16O2 |
240.3 g/mol |
COC1=C(C=CC(=C1)O)CC=CC2=CC=CC=C2 |
|
TCMBANKIN061655 |
Berlambine |
4-27-00-06654 (Beilstein Handbook Reference); BRN 0339209; Prestwick_92; 8-Oxyberberine; Oxyberberine; NSC93138; 8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-; 549-21-3; Ketoberberine; NSC 93138; 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone; Oxyberberin |
C20H17NO5 |
351.35 |
COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC |
|
TCMBANKIN061669 |
(-)-discretamine |
Prestwick3_000601; (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol; BPBio1_000554; CHEBI:17129; C02106; (13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol; BSPBio_000502; CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01; scoulerine; (S)-Scoulerine |
C19H21NO4 |
327.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
|
TCMBANKIN061670 |
Isocorypalmine |
(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol; 483-34-1; 5,8,13,13a-Tetrahydrocolumbamine; AJ-84169; 20504-94-3; SCHEMBL16035972; (-)-Isocorypalmine; BDBM50429057; UNII-YHT108XMMM component KDFKJOFJHSVROC-INIZCTEOSA-N; 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (S)- (9CI); ZINC30725153; Corydalis L; l-Tetrahydrocolumbamine; l-Isocorypalmine; (S)-3,9,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol; 6611AB; AX8235065; ISOCORYPALMINE, (-)-; FT-0670441; AKOS016007096; O10-Methylstepholidine; Tetrahydro-columbamine; C04118; CHEMBL2334891; 5, 8, 13, 13a-tetrahydrocolumbamine; CHEBI:17772; CTK8C0461; HY-N0927; (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol; Tetrahydrocolumbamine; (S)-THC; ANW-64713; ST24036047; 13a-alpha-Berbin-2-ol, 3,9,10-trimethoxy- (8CI); 2-O-Desmethyl-L-THP; 1356-03-2; UNII-MX470OL19D; isocorypalmine; AK103526; S-TETRAHYDROCOLUMBAMINE; ACM483341; MX470OL19D; 483-33-0; MolPort-023-332-930; (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol; TC-153458; (13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol; (S)-Tetrahydrocolumbamine; AC1L98XN; KB-211380; Columbamine, tetrahydro- (7CI); tetrahydrocolumbamine |
C20H23NO4 |
341.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
|
TCMBANKIN061671 |
dl-tetrahydropalmatine |
dl-tetrahydropalmatine;AIDS002241; 84-38-8; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-; CHEBI:16563; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-; (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; AIDS-002241; C02890; Hyndarine; (-)-Corydalis; 4880-82-4 (HCL); NSC36363 (HCL); InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s; 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; 5,8,13,13a(S)-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g]quinolizine; 2-(2,3-Dimethoxy-benzyl)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline; BB_NC-1018; Gindarine; Tetrahydropalmatine (6CI); Berbine, 2,3,9,10-tetramethoxy- (8CI); Tetrahydropalmatine; l-Tetrahydropalmatine; (S)-Tetrahydropalmatine; Caseanine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-; Rotundine; (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline; 483-14-7; (13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; 6H-dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (13aS)-; (-)-Tetrahydropalmatine;2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride; 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline hydrochloride; AKOS024399264; MolPort-002-321-247; Berbine,3,9,10-tetramethoxy-, hydrochloride; NSC-132057; NSC-209411; 2,3,9,10-Tetramethoxyberbine hydrochloride; 6024-85-7; CHEMBL1412574; NSC132058; Palmatine, hydrochloride, (.+-.)-; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (R)-; Tetrahydropalmatine hydrochloride; 024T857; C-55689; MCULE-7006385138; Palmatine, hydrochloride, (+)-; A832652; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride; MLS000029596; Ambotz6024-85-7; 2506-20-9; FT-0698667; 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; WLN: T D6 B666 KN&TT&J GO1 HO1 PO1 QO1 &GH; AC1O7ERI; NSC132057; NSC-132058; MLS002535962; AK310574; 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline hydrochloride; AC-8031; 13a.beta.-Berbine,3,9,10-tetramethoxy-, hydrochloride; Berbine,3,9,10-tetramethoxy-, hydrochloride, (+)-; NSC209411; Berbine,3,9,10-tetramethoxy-, hydrochloride, (.+-.)-; 3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6000000-azatetraphene hydrochloride; SCHEMBL3502167; AC1Q3C4E; D-Tetrahydropalmatine hydrochloride; Tetrahydropalmatine, HCl; SMR000008833;(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;Hyndarin;tetrahydropalmatine;L-tetrahydropalmatine;STOCK1N-14407 |
C21H25NO4 |
355.4 g/mol |
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)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 |
|
TCMBANKIN061704 |
isosativan |
FWAWTPASGRNXTO-UHFFFAOYSA-N; 3722-59-6; 2'-hydroxy-4',7-dimethoxyisoflavan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol #; Phenol, 2-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxy-; LMPK12080030; 2'-Isoflavanol, 4',7-dimethoxy-; AC1LBZDQ; CTK8I4645; 2'-Hydroxy-7,4'-dimethoxyisoflavan; 60102-29-6; 2-(3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-yl)-5-methoxyphenol; Isosativan; 5-Methoxy-2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol; 5-methoxy-2-(7-methoxychroman-3-yl)phenol |
C17H18O4 |
286.32 |
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O |
|
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 |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN061787 |
(-)-yatein |
Dihydroanhydropodorhizol; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R-trans)-; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone; MolPort-035-706-087; AC1L9DHE; (-)-deoxypodorhizone; (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl) dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-2(3h)-furanone; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-,trans-(-)-; GMLDZDDTZKXJLU-JKSUJKDBSA-N; AKOS032948829; (3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; ZINC1575142; (-)-yatein; Deoxypodorhizone; CHEMBL471067; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one; Yatein; DTXSID50193471; 40456-50-6; RD4-6277; BG01688458; AIDS-218539; AIDS218539; SCHEMBL1037807; 2(3H)-Furanone,4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-,(3R,4R)-; D01FBL; (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; W1872; (3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one; (-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone; CHEBI:4553; C22H24O7; (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; C10557; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one; dihydroanhydropodorhizol; BDBM50241524; Deoxypodorhizon; (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one |
C22H24O7 |
400.42 g/mol |
COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4 |
|
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 |
|
TCMBANKIN061828 |
5-hydroxy-4',7-dimethoxy-flavone; Flavone der. |
AIDS-071717; 5-Hydroxy-4',7-dimethoxy-flavone; Genkwanin 4'-methyl ether; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; NSC94547; Flavone, 5-hydroxy-4',7-dimethoxy- (8CI); 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-; Flavone, 5-hydroxy-4,7-dimethoxy-; 5-Hydroxy-4',7-dimethoxyflavone; 5128-44-9; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone; FLAVONE,5-HYDROXY-4-7-DIMETHOXY; AIDS071717; 5'-Hydroxy-7,4'-dimethoxyflavone; NSC 94547; C10019; Apigenin dimethylether; EINECS 225-867-4; 4',7-Dimethylapigenin; 5-Hydroxy-7,4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- (9CI); Apigenin 7,4'-dimethyl ether; Apigenin 4',7-dimethyl ether; Flavone, 5-hydroxy-4',7-dimethoxy-; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone |
C17H14O5 |
298.29 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
|
TCMBANKIN061842 |
8-O-methylretusin |
|
C17H14O5 |
298.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O |
|
TCMBANKIN061849 |
1-methoxy-4-(2-propenyl)-benzene |
4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol |
C10H12O |
148.2 g/mol |
COC1=CC=C(C=C1)CC=C |
|
TCMBANKIN061880 |
herniarin |
7-methoxycoumarin; 7- methoxy coumarin; Ayapanin220337_ALDRICH; NSC404559; 7-methoxychromen-2-one; DivK1c_006418; KBioGR_002056; Herniarine; KBio2_006008; KBio3_001206; 2H-1-BENZOPYRAN-2-ON; E, 7-METHOXY-; SDCCGMLS-0066524.P001; Herniarin; 531-59-9; 7-Methoxycoumarin; MEGxp0_000150; ACon1_002037; 64951_FLUKA; 7-Methoxy-2H-1-benzopyran-2-one; 5-18-01-00387 (Beilstein Handbook Reference); C09268; SPBio_000615; NSC 404559; 7-methoxy-2-chromenone; METHOXYCOURMARIN, 7-; BSPBio_001706; Spectrum_000392; KBio2_003440; KBioSS_000872; ST5406549; Spectrum3_000263; EINECS 208-513-3; Methyl umbelliferyl ether; MLS000574914; AIDS026313; SPECTRUM210874; Spectrum4_001558; Spectrum2_000398; Herniarin (6CI); KBio2_000872; SpecPlus_000322; Coumarin, 7-methoxy-; Spectrum5_000156; ZINC00391177; Coumarin, 7-methoxy- (8CI); W515809_ALDRICH; AIDS-026313; Methylumbelliferone; BRN 0141728; KBio1_001362; NCGC00095528-01; SMR000156201 |
C10H8O3 |
176.17 g/mol |
COC1=CC2=C(C=C1)C=CC(=O)O2 |
|
TCMBANKIN061884 |
Pterocarpine |
ZINC02048856; pterocarpine |
C17H14O5 |
298.29 |
COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
|
TCMBANKIN061893 |
7-methoxy-9,10-dihydrophenanthrene-2,5-diol |
87530-30-1; CHEBI:28678; C10257; 4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene;4,7-dihydroxy-2-methoxy-9,10-dihydro-phenanthrene;4, 7-dihydroxy-2-methoxy-9, 10-dihydrophenanthrene |
C15H14O3 |
242.27 g/mol |
COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)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 |
滇IICP备16009434号-1 |
Dai SX Lab