|
TCMBANKIN000028 |
coumarin |
KBio3_002764; HSDB 1623; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=CC(=O)O2 |
|
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 |
|
TCMBANKIN000288 |
(1R,2R,4R)-Dihydrocarveol |
(1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol; LMPR01020079; (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; (1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol; (−)-Dihydrocarveol; C11396; (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol; 37278_FLUKA; (1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN000329 |
Erysotrine |
C09423; 27740-43-8; erysotrine |
C19H23NO3 |
313.39 |
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
TCMBANKIN000405 |
1,5-diethyl-2,3-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN000626 |
caryophyllene alcohol |
|
C15H26O |
222.37 |
|
|
TCMBANKIN000652 |
farfugin A |
farfugin a |
C15H18O |
214.3 |
CC1CCCC2=C1C3=C(C=C2C)OC=C3C |
|
TCMBANKIN000673 |
dehydroaromadendrene |
dehydro-aromadendrene ; dehydroaromadenderene |
C15H24 |
204.35 g/mol |
CC1CCC2C1C3C(C3(C)C)CC=C2C |
|
TCMBANKIN000707 |
cis-isoascaridole |
(1S,4S)-4-methyl-1-propan-2-yl-7,8-dioxabicyclo[2.2.2]oct-2-ene; (1S,4S)-1-isopropyl-4-methyl-7,8-dioxabicyclo[2.2.2]oct-2-ene |
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN000791 |
Herbacetin |
DTXSID70415061; ZINC6536276; 8-Hydroxykaempferol; AK608438; FT-0688291; 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 8144AH; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3,4',5,7,8-Pentahydroxyflavone; MolPort-019-998-217; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; C02806; A829256; Herbacetin, >=98% (HPLC); ZDOTZEDNGNPOEW-UHFFFAOYSA-N; SCHEMBL872691; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113149; 527-95-7; Ambap527-95-7; herbacetin; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; D09YVT; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 3,5,7,8,4'-Pentahydroxyflavone; MFCD00210585; BDBM50304350; PubChem9861; 4H-1-Benzopyran-4-one,3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; AC1NQX74; AKOS030573690; CHEMBL611029 |
C15H10O7 |
302.24 |
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O |
|
TCMBANKIN000991 |
dan-shexinkum b |
|
|
280.34 |
|
|
TCMBANKIN000994 |
CLOVENE |
469-92-1; clovene |
C15H24 |
204.35 |
CC1(C=CC23C1CCC(C2)(CCC3)C)C |
|
TCMBANKIN001076 |
7-methyl-4-methylethenyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
|
|
190.36 |
|
|
TCMBANKIN001247 |
Bicyclo[6.3.0]undeca-1,7-dien-3-one, 5,5-dimethyl- |
(3aZ,9Z)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[8]annulen-5-one |
C13H18O |
190.28 g/mol |
CC1(CC=C2CCCC2=CC(=O)C1)C |
|
TCMBANKIN001304 |
nerohdyl acetate |
|
|
264.45 |
|
|
TCMBANKIN001511 |
bisdehydrotuberostemonine B |
|
|
371.52 |
|
|
TCMBANKIN001549 |
orientalol,f |
|
|
236.39 |
|
|
TCMBANKIN001624 |
stemoninine B |
|
|
387.52 |
|
|
TCMBANKIN001765 |
diosbulbin G |
|
C19H22O6 |
346.37 |
CC12CC(OC(=O)C1CC3C4C2CC(CC4C(=O)O3)O)C5=COC=C5 |
|
TCMBANKIN001797 |
(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-1-decalinol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol; (1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN001843 |
caseanidine |
|
C20H23NO4 |
341.4 |
|
|
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 |
|
TCMBANKIN002027 |
(2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanone |
(2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one |
|
152.26 |
|
|
TCMBANKIN002078 |
Dow Corning product Z-6187 |
CM8650; cyclohexyl-dimethoxy-methylsilane; cyclohexyl-dimethoxy-methyl-silane; 435635_ALDRICH; Cyclohexyl(dimethoxy)methylsilane |
C9H20O2Si |
188.34 |
CO[Si](C)(C1CCCCC1)OC |
|
TCMBANKIN002131 |
trans-8,10-diethyl lobelionol |
|
|
227.39 |
|
|
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 |
|
TCMBANKIN002173 |
selina-4(14),7(11)-dien-8-one |
[selina-4(14),7(11)-dien-8-one] |
C15H22O |
218.33 |
CC(=C1CC2C(=C)CCCC2(CC1=O)C)C |
|
TCMBANKIN002212 |
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester; MEGxp0_000687; (E)-3-(3,4-dihydroxyphenyl)acrylic acid [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzyl] ester; [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
C20H22O8 |
390.38 |
C1=CC=C(C(=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN002214 |
Murolan-3,9(11)-diene-10-peroxy |
|
C15H24O2 |
236.35 g/mol |
CC1C=CC(C2C1CCC(=C)C2OO)C(C)C |
|
TCMBANKIN002295 |
Datumetine |
datumetine |
C16H21NO3 |
275.34 |
CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC |
|
TCMBANKIN002385 |
3B-hydroxy-4(8)-ene-P-mentllane-3(9)-lactone |
|
|
180.27 |
|
|
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 |
|
TCMBANKIN002759 |
cis-Verbenyl acetate |
[(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate; [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ethanoate; acetic acid [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ester |
C12H18O2 |
194.27 |
CC1=CC(C2CC1C2(C)C)OC(=O)C |
|
TCMBANKIN002803 |
futoamide |
|
C18H23NO3 |
301.38 |
CC(C)CNC(=O)C=CCCC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN002843 |
3β-acetoxyatractylone |
|
C17H22O3 |
274.35 |
|
|
TCMBANKIN003060 |
()-Valencene |
75056_FLUKA; (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene; W344303_ALDRICH; (3R,4aR,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene; (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
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 |
|
TCMBANKIN003134 |
Pteleprenine |
6-methoxy-9-methyl-7-(3-methylbut-2-enyl)-[1,3]dioxolo[4,5-h]quinolin-8-one; 17232-50-7 |
C17H19NO4 |
301.34 |
CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C |
|
TCMBANKIN003148 |
Teucvin |
12-epi-Teucvin; teucvin |
C19H20O5 |
328.36 |
CC1CC2C3=C(CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)O2 |
|
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 |
|
|
TCMBANKIN003355 |
(3R,4aR,8aR)-3-isopropenyl-5,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
C15H24 |
204.35 |
|
|
TCMBANKIN003374 |
ZINC02090576 |
|
|
220.39 |
|
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003749 |
furanoeudesma- 1,4-diene-6-one |
|
|
228.31 |
|
|
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 |
|
|
TCMBANKIN003931 |
7R,8R-8-hydroxy-4-isopropylidene-7-methylbicyclo[5.3.1]undec-1-ene |
|
C15H24O |
220.35 g/mol |
CC(=C1CCC2(CC(=CC1)CCC2O)C)C |
|
TCMBANKIN004129 |
9alpha-hydroxyfraxinellone-9-o-beta-d-glucoside_qt |
|
|
262.33 |
|
|
TCMBANKIN004162 |
dehydroaromadendrane |
|
C15H24 |
204.35 |
|
|
TCMBANKIN004232 |
rel-1S,2S-epoxy- 4R-furanogermacr-10(15)-en-6-one |
rel-1s,2s-epoxy-4r-furanogermacr-10(15)-en-6-one |
|
246.33 |
CC1CC2C(O2)C(=C)CC3=C(C(=CO3)C)C(=O)C1 |
|
TCMBANKIN004467 |
[(1S,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-5'-oxo-spiro[decalin-4,2'-tetrahydrofuran]-1-yl] acetate |
[(1S,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-5'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] acetate; acetic acid [(1S,3R,4R,4aS,8aS)-5'-keto-3,4a,8,8-tetramethyl-spiro[decalin-4,2'-tetrahydrofuran]-1-yl] ester; acetic acid [(1S,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-5'-oxo-1-spiro[decalin-4,2'-tetrahydrofuran]yl] ester; [(1S,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-5'-oxo-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-yl] ethanoate |
|
322.49 |
|
|
TCMBANKIN004573 |
patchoulene |
Patchoulene |
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN004704 |
1-alpha-Terpinyl acetate |
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 |
C12H20O2 |
196.29 |
CC1=CCC(CC1)C(C)(C)OC(=O)C |
|
TCMBANKIN004792 |
gamma-Terpineol |
4-isopropylidene-1-methyl-cyclohexan-1-ol; 586-81-2; 1-Methyl-4-(1-methylethylidene)cyclohexan-1-ol; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-; 4-isopropylidene-1-methyl-1-cyclohexanol; TERPINEOL, GAMMA; .gamma.-Terpineol; EINECS 209-584-3; 1-methyl-4-propan-2-ylidene-cyclohexan-1-ol; 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
C10H18O |
154.25 |
CC(=C1CCC(CC1)(C)O)C |
|
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 |
|
|
TCMBANKIN004909 |
2-[(2R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN005010 |
qinghaosu i |
|
C13H18O2 |
206.28 |
|
|
TCMBANKIN005030 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
|
TCMBANKIN005060 |
[1R-(1.alpha.,3a.beta.,4.alpha.,8a.beta.,9S)]-decahydro-1,5,5,8a-tetramethyl-1,4-Methanoazulen-9-ol |
|
|
222.41 |
|
|
TCMBANKIN005078 |
(1R)-2-methyl-1-phenylprop-2-en-1-ol |
ZINC02508056; (1R)-2-methyl-1-phenyl-prop-2-en-1-ol |
|
148.22 |
|
|
TCMBANKIN005241 |
cis-2,8-Menthadien-1-ol |
7212-40-0; (1R,4R)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), cis; 4017-73-6; 22972-52-7; 26767-56-6; trans-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4R)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; (1R,4R)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; EINECS 230-595-4; trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
TCMBANKIN005269 |
Rystal |
3-(Acetylamino)-1-hydroxybenzene; 3'-Hydroxyacetanilide; BS 749; Acetanilide, 3'-hydroxy-; 3-Acetamidophenol; N-(3-Hydroxyphenyl)acetamide; Metacetamolum [INN-Latin]; RH 01842; SpecPlus_000775; SPECTRUM211175; NCGC00091423-01; EINECS 210-687-0; CCRIS 4567; NCGC00091423-03; m-Hydroxyacetanilide; BSPBio_002824; Spectrum5_000701; ZINC00001691; 00350_FLUKA; NSC3990; NSC 3990; DivK1c_006871; KBioSS_001456; 3-Hydroxyacetanilide; 3-(Acetylamino)phenol; Spectrum4_000086; 621-42-1; A7205_ALDRICH; NCGC00091423-02; N-(3-hydroxyphenyl)ethanamide; Metalid; BS 479; KBio1_001815; Spectrum_000976; Pedituss; Metacetamol; Metacetamol [BAN:INN]; Acetamide, N-(3-hydroxyphenyl)-; KBio2_004024; Pyrapap; KBio2_006592; m-(Acetylamino)phenol; KBio2_001456; InChI=1/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10; Spectrum2_000517; SPBio_000473; AI3-01929; BRN 0907998; N-Acetyl-m-aminophenol; KBioGR_000352; Metacetamolo [DCIT]; Spectrum3_001262; m-Acetamidophenol; KBio3_002324 |
C8H9NO2 |
151.16 |
CC(=O)NC1=CC(=CC=C1)O |
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005416 |
β-oplopenone |
beta-oplopenone |
C15H24O |
220.35 |
CC(C)C1CCC(=C)C2C1C(CC2)C(=O)C |
|
TCMBANKIN005553 |
2 - methyl - 3 - (2 - propenyl) - phenol |
|
|
148.22 |
|
|
TCMBANKIN005557 |
humulene epoxide |
|
C15H24O |
220.35 g/mol |
CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C |
|
TCMBANKIN005707 |
Calamendiol |
calamendiol |
C15H26O2 |
238.37 g/mol |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN005810 |
2-oxostenine |
|
C17H25NO3 |
291.39 |
CCC1C2CCCCN3C2C(CC3=O)C4C1OC(=O)C4C |
|
TCMBANKIN005818 |
Thujopsadiene |
thujopsadiene; AC1O575L; 2,4a,8,8-tetramethyl-1,1a,4,5-tetrahydrocyclopropa[j]naphthalene; HIRCZOSUMSSTDU-UHFFFAOYSA-N |
C15H22 |
202.33 g/mol |
CC1=CCC2(CC=CC(C23C1C3)(C)C)C |
|
TCMBANKIN005960 |
STOCK1N-53032 |
|
C18H19NO3 |
297.35 |
|
|
TCMBANKIN006022 |
1,2-Cyclohexanediol,1-methyl-4-(1-methylethyl) |
|
C10H20O2 |
172.26 g/mol |
CC(C)C1CCC(C(C1)O)(C)O |
|
TCMBANKIN006041 |
diisopro-penyl methyl vinyl cyclohexane2 |
|
|
204.39 |
|
|
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 |
|
|
TCMBANKIN006372 |
()-alpha-Longipinene |
(1R,2S,7R,8R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02.8]undec-9-ene; 62638_FLUKA |
|
204.39 |
|
|
TCMBANKIN006471 |
1-oxaspiro-[2,5]octane,5,5-dimethyl-4-(3-methyl-1,3-butadienyl |
|
|
206.36 |
|
|
TCMBANKIN006531 |
beta-Isosparteine |
7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7abeta,14alpha,14abeta))-; Dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine (7S-(7alpha,7abeta,14alpha,14abeta))-; InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H; 7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-; 24915-04-6; (-)-beta-Isosparteine; 446-95-7 |
C15H26N2 |
234.38 |
C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
|
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 |
|
|
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 |
|
TCMBANKIN006960 |
ZINC05063142 |
[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol |
C15H26O |
222.37 |
|
|
TCMBANKIN007002 |
(1S,3aS,4S,7R,8aS)-7-isopropenyl-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
(1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
|
238.41 |
|
|
TCMBANKIN007072 |
80-57-9 |
Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-; (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; (1R,5R)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; EINECS 201-292-4; EPA Pesticide Chemical Code 128986; 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; NCGC00142604-01; ZINC00967600; AI3-23127 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN007217 |
renifolin |
AC1NT00E; (2S,3R,4S,5S,6R)-2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
C18H24O7 |
352.38 |
CC1=CCC2=C(C=C(C(=C2C1)OC3C(C(C(C(O3)CO)O)O)O)C)O |
|
TCMBANKIN007392 |
Dmbc formate |
(2-methyl-1-phenyl-propan-2-yl) methanoate; (2-methyl-1-phenylpropan-2-yl) formate; 2-Benzyl-2-propyl formate; alpha,alpha-Dimethylphenethyl formate; 10058-43-2; Benzyl dimethyl carbinyl formate; formic acid (1,1-dimethyl-2-phenyl-ethyl) ester; Benzeneethanol, alpha,alpha-dimethyl-, formate; Dimethyl benzyl carbinyl formate; (1,1-dimethyl-2-phenyl-ethyl) formate; Phenethyl alcohol, alpha,alpha-dimethyl-, formate; alpha,alpha-Dimethylbenzeneethyl formate; FEMA No. 2395; formic acid (1,1-dimethyl-2-phenylethyl) ester |
C11H14O2 |
178.23 |
CC(C)(CC1=CC=CC=C1)OC=O |
|
TCMBANKIN007442 |
p-menth-4-en-3-one |
AN-19961; 5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one; 2-isopropyl-5-methyl-cyclohex-2-en-1-one; 5-methyl-2-propan-2-ylcyclohex-2-en-1-one; 2-Isopropyl-5-methyl-2-cyclohexen-1-one #; p-Menth-4-en-3-one; AC1L321A; 5-methyl-2-propan-2-yl-cyclohex-2-en-1-one; 5-methyl-2-isopropyl-2-cyclohexen1-one; SCHEMBL6360973; 2-isopropyl-5-methylcyclohex-2-enone; OAYBZGPDRAMDNF-UHFFFAOYSA-N; AC1Q6CEV; CTK1H2606; 5113-66-6; 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)- |
C10H16O |
152.23 |
CC1CC=C(C(=O)C1)C(C)C |
|
TCMBANKIN007587 |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)quinolin-2-one |
4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxo-but-3-enyl)quinolin-2-one; 3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-1-methyl-carbostyril; 4,8-dimethoxy-1-methyl-3-(3-methyl-2-oxobut-3-enyl)-2-quinolinone |
|
301.37 |
|
|
TCMBANKIN007630 |
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy] |
|
C13H24O3 |
228.33 |
|
|
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 |
|
TCMBANKIN007801 |
(2R)-3-oxo-2-phenylbutanenitrile |
ZINC00080804; (2R)-3-keto-2-phenyl-butyronitrile; (2R)-3-oxo-2-phenyl-butanenitrile |
C10H9NO |
159.18 |
|
|
TCMBANKIN007850 |
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide |
SMR000008675; BAS 00342395; Benzamide, N-(2,5-dimethoxyphenyl)-4-methoxy-; N-(2,5-dimethoxyphenyl)-4-methoxy-benzamide; N-(2,5-Dimethoxy-phenyl)-4-methoxy-benzamide; Oprea1_081808; ZINC00335062; STK018033; Oprea1_488227; MLS000026764 |
C16H17NO4 |
287.31 g/mol |
COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC |
|
TCMBANKIN008085 |
Androstane |
NSC49000; CHEBI:28859; 438-22-2; Androstane, (5.alpha.)-; Aetioallocholane; 5.alpha.-Androstane; Aetioallocholan; EINECS 207-116-2; C01554; 5.alpha.,14.alpha.-Androstane; 24887-75-0; LMST02020056; (5R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene; Etioallocholane; A0887_SIGMA; (5alpha)Androstane; 5alpha,14alpha-Androstane; 5alpha-Androstane; 5.alpha.-Androstan; Androstane, (5alpha)- |
C19H32 |
260.46 |
CC12CCCC1C3CCC4CCCCC4(C3CC2)C |
|
TCMBANKIN008119 |
Isoamyl benzoate |
1-Butanol, 3-methyl-, benzoate; Isopentyl alcohol, benzoate; FEMA No. 2058; 94-46-2; ST5410287; 54846-63-8; EINECS 202-334-4; Isoamyl benzoate (natural); BRN 1946447; Benzoic acid, 3-methylbutyl ester; 3-Methylbutyl benzoate; benzoic acid isoamyl ester; InChI=1/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H; WLN: 1Y1&2OVR; AI3-01966; benzoic acid isopentyl ester; 3-Methyl-1-butyl benzoate; W205818_ALDRICH; Benzoic acid, 1-(3-methyl)butyl ester; Isopentyl alcohol, benzoate (6CI,8CI); 4-09-00-00292 (Beilstein Handbook Reference); Isopentyl benzoate; 1-(3-Methyl)butyl benzoate; NSC9284; Benzoic acid, isopentyl ester; NSC 9284 |
C12H16O2 |
192.25 |
CC(C)CCOC(=O)C1=CC=CC=C1 |
|
TCMBANKIN008312 |
ISOPULEGOL |
59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol |
C10H18O |
154.25 |
CC1CCC(C(C1)O)C(=C)C |
|
TCMBANKIN008452 |
(E)-Linalol pyranoxide |
linalool oxide C (trans-THP); (3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; (E)-Linallol oxide (pyran) |
C21H44 |
296.57 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
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 |
|
TCMBANKIN008738 |
Lindenene |
lindenene |
C15H18O |
214.3 |
CC1=COC2=C1CC3C(=C)C4CC4C3(C2)C |
|
TCMBANKIN008887 |
d-isomenthone |
EINECS 214-813-5; (2R,5R)-2-isopropyl-5-methyl-1-cyclohexanone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-; (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropyl-5-methylcyclohexanone; 18309-28-9; 1196-31-2; (2R,5R)-2-isopropyl-5-methyl-cyclohexan-1-one; (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone; ZINC03860577; (+)-Isomenthone; (1R,4R)-p-menthan-3-one; EINECS 242-194-1; C11952; LMPR01020096; (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one; (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; CHEBI:36492; (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one |
C10H18O |
154.25 |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN008904 |
cyclohexyl-methoxy-dimethylsilane |
cyclohexyl-methoxy-dimethyl-silane |
|
172.38 |
|
|
TCMBANKIN008961 |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
|
166.24 |
|
|
TCMBANKIN008972 |
caryophyllenol |
|
C15H26O |
222.37 |
CC1(CC2C1CCC3(CCCC2(C3)O)C)C |
|
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 |
|
|
TCMBANKIN009134 |
Diglycol dibenzoate |
EINECS 204-407-6; 2-(2-phenylcarbonyloxyethoxy)ethyl benzoate; Polyethylene glycol 100 dibenzoate; 2,2'-oxydiethylene dibenzoate; Ethanol, 2,2'-oxybis-, dibenzoate; Di(ethylene glycol) dibenzoate; 369365_ALDRICH; Polyoxyethylene (2) dibenzoate; BRN 2509507; AI3-02293; Oxydiethylene dibenzoate; Benzoic acid, diester with diethylene glycol; 4-09-00-00356 (Beilstein Handbook Reference); HSDB 5587; benzoic acid 2-[2-(oxo-phenylmethoxy)ethoxy]ethyl ester; DIETHYLENE GLYCOL, DIBENZOATE; Diethylene glycol dibenzoate; 120-55-8; Benzoyloxyethoxyethyl benzoate; benzoic acid 2-[2-(benzoyloxy)ethoxy]ethyl ester; 2-[2-(benzoyloxy)ethoxy]ethyl benzoate; NCGC00164149-01; Dibenzoyldiethyleneglycol ester; Benzo Flex 2-45 |
C18H18O5 |
314.33 |
C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2 |
|
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 |
|
TCMBANKIN009231 |
(3R,6S)-3-hydroperoxy-6-isopropenyl-3-methylcyclohexene |
(3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6S)-3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene; (3R,6S)-3-hydroperoxy-6-isopropenyl-3-methyl-cyclohexene |
|
168.26 |
|
|
TCMBANKIN009244 |
13657-68-6 |
Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))-; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione; 6-Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))- (9CI); Germacr-1(10)-ene-5,8-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
|
TCMBANKIN009248 |
9alpha-Hydroxyfraxinellone |
(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; 3-Furan-3-yl-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one; 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-6-hydroxy-3a,7-dimethyl-, (3R,3aR,6R)-; (3R,3aR,6R)-3-furan-3-yl-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; rel-(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one; InChI=1/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12+,14-/m1/s; (-)-(3R,3aR,6R)-3-(3'-Furanyl)-3a,7-dimethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one |
C14H14O4 |
246.26 |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
TCMBANKIN009385 |
1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethanone |
|
|
138.23 |
|
|
TCMBANKIN009431 |
dihydrolinalool |
|
C10H20O |
156.27 |
CCC(C)(CCC=C(C)C)O |
|
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 |
|
TCMBANKIN009519 |
1-[(2S)-2-piperidyl]acetone |
1-[(2S)-2-piperidinyl]propan-2-one; 1-[(2S)-piperidin-2-yl]propan-2-one; 1-[(2S)-2-piperidyl]propan-2-one |
|
141.24 |
|
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009734 |
(β-maaliene) |
|
|
204.39 |
|
|
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 |
|
|
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 |
|
TCMBANKIN010223 |
1,3-furanoeudesma-diene |
|
|
228.36 |
|
|
TCMBANKIN010237 |
camphorene |
|
|
272.52 |
|
|
TCMBANKIN010240 |
betea-CUBEBENE |
|
C15H24 |
204.35 |
|
|
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 |
|
TCMBANKIN010363 |
grosheimin |
|
C15H18O4 |
262.3 g/mol |
CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O |
|
TCMBANKIN010550 |
1,3,3-Trimethyl-2-(2-methyl-cyclo-propyl)-cyclohexene |
|
C13H22 |
178.31 g/mol |
CC1CC1C2=C(CCCC2(C)C)C |
|
TCMBANKIN010629 |
junipene |
longifolene; (+)-longifolene |
C15H24 |
204.35 |
CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
|
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 |
|
TCMBANKIN011017 |
decahydro-2,2,4,8-tetramethyl-4,8-methano-azulen-9-ol |
|
|
222.41 |
|
|
TCMBANKIN011028 |
desmodimiine |
|
|
237.28 |
|
|
TCMBANKIN011109 |
nootkatene |
|
C15H22 |
202.34 |
CC1CC=CC2=CCC(CC12C)C(=C)C |
|
TCMBANKIN011293 |
Butyl isovalerate |
n-Butyl isopentanoate; EINECS 203-654-7; HSDB 6383; Butyl isovalerianate; n-Butyl 3-methylbutanoate; NSC6187; W221813_ALDRICH; 42580_FLUKA; 59858_FLUKA; 1-Butyl isovalerate; 3-methylbutanoic acid butyl ester; Butanoic acid, 3-methyl-, butyl ester; FEMA No. 2218; AI3-33584; 3-02-00-00698 (Beilstein Handbook Reference); Isovaleric acid, butyl ester; n-Butyl isovalerate; W221805_ALDRICH; WLN: 4OV1Y1 & 1; NSC 6187; 109-19-3; Butyl isopentanoate; Butyl 3-methylbutanoate; 3-methylbutyric acid butyl ester; BRN 1752803; Butyl isovalerate (natural); Butyl 3-methylbutyrate |
C9H18O2 |
158.24 |
CCCCOC(=O)CC(C)C |
|
TCMBANKIN011366 |
ZINC02166569 |
(3R,5S)-3,5-dimethyloctan-4-one |
C10H20O |
156.27 |
|
|
TCMBANKIN011487 |
(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone |
(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one |
C21H26O5 |
358.43 |
|
|
TCMBANKIN011627 |
1,6,8-trimethyl-1,2,3,4-tetrahydronaphthalene |
|
C13H18 |
174.28 g/mol |
CC1CCCC2=CC(=CC(=C12)C)C |
|
TCMBANKIN011692 |
bisdehydroneostemonine |
|
C18H21NO4 |
315.36 |
CC1C2C(CCCN3C2=CC=C3)OC1=C4C(=C(C(=O)O4)C)OC |
|
TCMBANKIN011812 |
()-alpha-Funebrene |
47991_FLUKA; ()-1,7-Diepi-alpha-cedrene |
C15H24 |
204.35 |
|
|
TCMBANKIN011816 |
sinenofuranal |
|
|
236.39 |
CC1CCC2CC3(C1CCC3C=O)OC2(C)C |
|
TCMBANKIN011863 |
Methyl 9-cyclopropylnonanoate |
9-cyclopropylpelargonic acid methyl ester; 9-cyclopropylnonanoic acid methyl ester; Cyclopropanenonanoic acid, methyl ester |
C13H24O2 |
212.33 g/mol |
COC(=O)CCCCCCCCC1CC1 |
|
TCMBANKIN011926 |
(1R,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-1-decalinol |
(1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol; (1R,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN012015 |
beta-Bazzanene |
|
C15H24 |
204.35 |
CC1=CCC(CC1)(C)C2(CCCC2=C)C |
|
TCMBANKIN012123 |
cis-Piperitol |
cis-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; 16721-38-3; (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; (1R,6S)-6-isopropyl-3-methyl-1-cyclohex-2-enol; EINECS 240-775-4; (1R,6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; 75363-64-3; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-; cis-piperitol; (1R,6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC1=CC(C(CC1)C(C)C)O |
|
TCMBANKIN012312 |
(E)-7-(1,3-benzodioxol-5-yl)-1-piperidino-hept-6-en-1-one |
(E)-7-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)hept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-one; (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-hept-6-en-1-one |
C19H21NO3 |
311.37 |
|
|
TCMBANKIN012351 |
Schizonepetoside C_qt |
|
|
168.26 |
|
|
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 |
|
|
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 |
|
TCMBANKIN012747 |
BHT-OH |
BRN 2050856; 2,6-ditert-butyl-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienone; 4-08-00-00142 (Beilstein Handbook Reference); 10396-80-2; 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadiene-1-one; 2,6-di(t-Butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one; 2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroxy-4-methyl-; 2,6-Di-t-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone; 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one; 2,6-ditert-butyl-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-one |
C15H24O2 |
236.35 |
CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O |
|
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 |
|
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 |
|
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 |
|
TCMBANKIN013398 |
stemoninine A |
|
|
387.52 |
|
|
TCMBANKIN013414 |
neotuberostemonol |
|
C22H31NO5 |
389.49 |
CCC1C2C(C(C(=O)O2)C)C3(CC(N4C3=C1CCCC4)C5CC(C(=O)O5)C)O |
|
TCMBANKIN013489 |
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
SMR000156216; (8S)-8-(1-hydroxy-1-methyl-ethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)-; MLS000574835; 3804-70-4; (8S)-8-(1-hydroxy-1-methylethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
|
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 |
|
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN013610 |
methyl 3-hydroxy-4-methoxybenzoate |
3-hydroxy-4-methoxybenzoic acid methyl ester; 3-hydroxy-4-methoxy-benzoic acid methyl ester; DA-0613; methyl 3-hydroxy-4-methoxy-benzoate; 470708_ALDRICH |
C9H10O4 |
182.17 |
COC1=C(C=C(C=C1)C(=O)OC)O |
|
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 |
|
TCMBANKIN014175 |
Piperitenone |
NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8 |
C10H14O |
150.22 |
CC1=CC(=O)C(=C(C)C)CC1 |
|
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 |
|
TCMBANKIN014360 |
schizonol |
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-; 35736-66-4; (5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE; CTK1B6730; SNBPZAIQWQXUCR-SSDOTTSWSA-N; (5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one; Schizonol; DTXSID80453772; (-)-1R-8-Hydroxy-p-menth-4-en-3-one; 2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one # |
C10H16O2 |
168.23 g/mol |
CC1CC=C(C(=O)C1)C(C)(C)O |
|
TCMBANKIN014399 |
Eremophilene |
eremophilene |
C15H24 |
204.35 |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
|
TCMBANKIN014462 |
Aromadendrene, dehydro |
|
C15H22 |
202.33 g/mol |
CC1CC=C2C1C3C(C3(C)C)CCC2=C |
|
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 |
|
|
TCMBANKIN014793 |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane |
(1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane; nchembio.2007.29-comp12; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane |
C15H24 |
204.35 |
|
|
TCMBANKIN014908 |
ZINC00388662 |
|
C12H20O2 |
196.29 |
|
|
TCMBANKIN015054 |
cis-linalol pyranoxide |
linalool oxide D (cis-THP); cis-Linalool Oxide, pyranoid; (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol; (3R,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; cis-Linalol oxide (pyranoid); (3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol |
C10H18O2 |
170.25 g/mol |
CC1(C(CCC(O1)(C)C=C)O)C |
|
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 |
|
TCMBANKIN015169 |
schizonepetoside E_qt |
|
|
186.28 |
|
|
TCMBANKIN015220 |
(6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-; (R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one; EINECS 224-957-0; (6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 4573-50-6; (6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN015357 |
turmeronol A |
turmeronol a |
C15H20O2 |
232.32 |
CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O |
|
TCMBANKIN015378 |
Spiroxabovolide |
|
C11H16O3 |
196.24 |
CC1CCCC2(O1)C(=C(C(=O)O2)C)C |
|
TCMBANKIN015423 |
Allopseudococain |
Allo-psi-cocaine; methyl (1R,2S,3R,5S)-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate; methyl (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; (1R,2S,3R,5S)-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 518-97-8; InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H; 1alphaH,5alphaH-Tropane-2alpha-carboxylic acid, 3alpha-hydroxy-, methyl ester, benzoate (ester) (8CI); Pseudoallococaine; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)- (9CI); (R)-Allopseudococaine; methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)-; 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester; Allopseudococaine (6CI); (1R,2S,3R,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(endo,endo)]- |
C17H21NO4 |
303.35 |
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
|
TCMBANKIN015471 |
(2S,4aS,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene |
|
|
194.35 |
|
|
TCMBANKIN015684 |
dehydrocavidine |
|
|
351.43 |
|
|
TCMBANKIN015754 |
2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN016014 |
caryophyllenyl alcohol |
|
C15H26O |
222.37 |
CC1CCC(C(=CCC2C1CC2(C)C)C)O |
|
TCMBANKIN016099 |
(+)-cis-Isopulegone |
CHEBI:37047; C11951; (2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; LMPR01020095; (2R,5R)-2-isopropenyl-5-methyl-1-cyclohexanone; (2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one; (2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN016115 |
4,5,9,10-Dehydro-isolongifolene |
|
|
200.35 |
|
|
TCMBANKIN016213 |
Zingiberenol |
zingiberenol |
C15H26O |
222.37 |
CC(CCC=C(C)C)C1CCC(C=C1)(C)O |
|
TCMBANKIN016318 |
sessilifoline B |
|
C17H27NO2 |
277.4 g/mol |
CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C |
|
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 |
|
TCMBANKIN016355 |
()-Sativene |
84590_FLUKA |
C15H24 |
204.35 |
|
|
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 |
|
TCMBANKIN016630 |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)oxane |
(2S,4S)-4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran; ZINC02018445 |
C10H18O |
154.25 |
|
|
TCMBANKIN017034 |
1,7-Octadien-3-ol,3,7-dimethyl |
|
C10H18O |
154.25 |
CC(=C)CCCC(C)(C=C)O |
|
TCMBANKIN017120 |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidino-pent-2-en-1-one |
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidin-1-yl-pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(1-piperidyl)pent-2-en-1-one |
C17H23NO3 |
289.4 g/mol |
COC1=C(C=CC(=C1)CCC=CC(=O)N2CCCCC2)O |
|
TCMBANKIN017306 |
()-Isopulegol |
ZINC01081211; 439053_ALDRICH; (1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1S,3S,4R)-p-Menth-8-en-3-ol; 59765_FLUKA; (1S,2R,5S)-2-Isopropenyl-5-methylcyclohexanol; (1S,2R,5S)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2R,5S)-2-isopropenyl-5-methyl-1-cyclohexanol |
C10H18O |
154.25 |
|
|
TCMBANKIN017319 |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyldecalin-1,8a-diol |
(1S,4R,4aS,6R,8aS)-6-isopropenyl-4,4a-dimethyl-decalin-1,8a-diol; (1S,4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol |
C15H26O2 |
238.37 |
|
|
TCMBANKIN017354 |
(1S,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN017488 |
trans-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN017499 |
()-Dihydrocarveol |
22567-21-1; (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol; (1S-(1alpha,2beta,5alpha))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol; (1S,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol; (1S,2S,5S)-5-isopropenyl-2-methyl-cyclohexan-1-ol; LMPR01020086; (1S,2S,5S)-5-isopropenyl-2-methyl-1-cyclohexanol; 37277_FLUKA; EINECS 245-085-7; (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; C11413; (1S,2S,4S)-Dihydrocarveol |
C10H18O |
154.25 |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN017770 |
1,5-dimethyl-6-methylethenylspiro[2.4]heptane |
|
|
164.32 |
|
|
TCMBANKIN018100 |
cis-linalool,oxide |
|
C10H18O2 |
170.25 |
|
|
TCMBANKIN018151 |
Cedreneoxide |
|
C15H24O |
220.35 g/mol |
CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C |
|
TCMBANKIN018347 |
3-methoxy-10-methylenefuranogermacra-1- en-6-one |
(1E)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C16H20O3 |
260.33 g/mol |
CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C |
|
TCMBANKIN018502 |
(S)-2-Ethylhexanoic acid |
InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10; 72377-05-0; (2S)-2-ethylhexanoic acid; Hexanoic acid, 2-ethyl-, (S)-; (+)-2-Ethylhexanoic acid; InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s |
C8H16O2 |
144.21 |
CCCCC(CC)C(=O)O |
|
TCMBANKIN018592 |
(+)-1,5-Epoxy-nor-ketoguaia-11-ene |
(+)-1,5-epoxy-nor-ketoguaia-11-ene; 1,5-Epoxy-14-nor-11-guaien-10-one |
C14H20O2 |
220.31 g/mol |
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C |
|
TCMBANKIN018615 |
3-[(3R,9S,9aR)-9-hydroxy-2-keto-quinolizidin-3-yl]quinazolin-4-one |
3-[(3R,9S,9aR)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-3-yl]-4-quinazolinone; 3-[(3R,9S,9aR)-9-hydroxy-2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizin-3-yl]quinazolin-4-one |
|
313.39 |
|
|
TCMBANKIN018669 |
safranal |
EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde |
C10H14O |
150.22 |
CC1=C(C(CC=C1)(C)C)C=O |
|
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 |
|
TCMBANKIN019187 |
Tricyclo[4.3.1.12,5]undec-3-en-10-ol, 3-(1-methylethyl)-, (1R,2S,5S,6S,10R)-rel- |
|
|
206.36 |
|
|
TCMBANKIN019203 |
trans-Verbenol |
EINECS 217-335-5; 1820-09-3; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-; (1alpha,2alpha,5alpha)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; EINECS 243-407-0; (1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-; 18881-04-4; InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H; (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; AI3-23135; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-; 1S-cis-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-; ZINC01081109; 19890-02-9 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN019367 |
schizonodiol |
Schizonodiol; (4S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one; AC1NT0A0 |
C10H16O3 |
184.23 |
CC1CC(=O)C(=CC1O)C(C)(C)O |
|
TCMBANKIN019527 |
yibeinoside A_qt |
|
C33H53NO7 |
575.78 |
|
|
TCMBANKIN019741 |
49070_FLUKA |
(−)-Globulol |
C15H26O |
222.37 |
|
|
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 |
|
TCMBANKIN019808 |
Isobutylisovalerate |
Isobutyl isopentanoate; 59870_FLUKA; 3-methylbutanoic acid isobutyl ester; 2-Methylpropyl isovalerate; 589-59-3; Isobutyl isovalerate (natural); isobutyl 3-methylbutanoate; NSC6993; FEMA No. 3369; BRN 1702649; isobutylisovalerate; WLN: 1Y1&1VO1Y1&1; 3-methylbutyric acid isobutyl ester; 2-Methylpropyl 3-methylbutanoate; AI3-33586; 2-Methylpropyl 3-methylbutyrate; Isobutyl isovalerate; Isobutyl 3-methylpropanoate; Isovaleric acid, isobutyl ester; Butanoic acid, 3-methyl-, 2-methylpropyl ester; EINECS 209-653-8; NSC 6993 |
C9H18O2 |
158.24 |
CC(C)CC(=O)OCC(C)C |
|
TCMBANKIN019815 |
beta-Gurjunene |
(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene; 73464-47-8; beta-gurjunene; 1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-; β-gurjunene |
C15H24 |
204.35 |
CC1CCC2C(C2(C)C)C3C1CCC3=C |
|
TCMBANKIN019913 |
dl-3n-butylphthalide |
(3R)-3-butyl-3H-isobenzofuran-1-one; (3R)-3-butyl-3H-2-benzofuran-1-one |
C12H14O2 |
190.24 |
|
|
TCMBANKIN019917 |
1H-benzocycloheptene,2,4a,5,6,7,8,9,9a-octahydro-3,3,5-trimethyl-9-methylene-,(4aS-cis)- |
|
|
205.4 |
|
|
TCMBANKIN020123 |
492-06-8 |
Prestwick2_000618; SPBio_002775; STOCK1N-51759; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7R-(7alpha,7abeta,14alpha,14abeta))-; Prestwick0_000618; Prestwick1_000618 |
C15H26N2 |
234.38 |
C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
|
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 |
|
TCMBANKIN020195 |
(+)-Ledol |
577-27-5; C09698; 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))- |
C15H26O |
222.37 g/mol |
CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
|
TCMBANKIN020587 |
cascarillin |
|
C22H32O7 |
408.5 g/mol |
CC1C(CC2(C(C1(CC(C3=COC=C3)O)C=O)CCC(C2(C)O)O)C)OC(=O)C |
|
TCMBANKIN020752 |
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
|
C20H23NO4 |
341.4 |
|
|
TCMBANKIN020824 |
1,2-diethyl-3-methylcyclohexylamine |
|
|
169.35 |
|
|
TCMBANKIN020933 |
Physovenine |
physovenine; H67Q5553UW; CHEMBL205231; (-)-Physovenine; (3aS)-3aalpha,8-Dimethyl-5-(methylcarbamoyloxy)-3,3a,8,8aalpha-tetrahydro-2H-furo[2,3-b]indole; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] ester; C09232; AC1L9C9Q; SCHEMBL1666015; 2H-Furo(2,3-b)indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aS-cis)-; (3AS,8AS)-3A,8-DIMETHYL-2H,3H,8AH-FURO[2,3-B]INDOL-5-YL N-METHYLCARBAMATE; [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate; CHEBI:8188; UNII-H67Q5553UW; 6091-05-0 |
C14H18N2O3 |
262.3 |
CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C |
|
TCMBANKIN021088 |
Deoxyarteannuin B |
78092-22-5; InChI=1/C15H20O2/c1-9-4-6-12-10(2)5-7-13-11(3)14(16)17-15(12,13)8-9/h8,10,12-13H,3-7H2,1-2H3/t10-,12+,13+,15-/m1/s; 6,9-Dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-1-oxa-cyclopenta[d]naphthalen-2-one; rel-(3aR,6S,6aR,10aR)-6,9-dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-2H-naphtho[8a,1-b]furan-2-one; 2H-naphtho[8a,1-b]furan-2-one, 3,3a,4,5,6,6a,7,8-octahydro-6,9-dimethyl-3-methylene-, (3aS,6R,6aS,10aS)- |
C15H20O2 |
232.32 |
CC1CCC2C(=C)C(=O)OC23C1CCC(=C3)C |
|
TCMBANKIN021165 |
(1R,2R)-2-dimethylamino-1-phenylpropan-1-ol |
(1R,2R)-2-dimethylamino-1-phenyl-propan-1-ol |
C11H17NO |
179.26 |
|
|
TCMBANKIN021321 |
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone |
3-(3-ketobutyl)-2,4,4-trimethyl-cyclohex-2-en-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one; 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohex-2-enone |
C13H20O2 |
208.3 |
CC1=C(C(CCC1=O)(C)C)CCC(=O)C |
|
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 |
|
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 |
|
TCMBANKIN021683 |
4-allyl-2-meth-oxyphenyl 2-methylbutanoate |
|
|
248.35 |
|
|
TCMBANKIN021928 |
3-methoxy-4-acetoxycinnamyl angelate |
[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester |
C17H20O5 |
304.34 g/mol |
CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
|
TCMBANKIN021929 |
(1S,2S,5S)-2-isopropyl-5-methyl-1-cyclohexanol |
(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol; ZINC02038603; (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol; (1S,2S,5S)-2-isopropyl-5-methyl-cyclohexan-1-ol |
C10H20O |
156.27 |
|
|
TCMBANKIN021964 |
1-isobutyl-2,5-dimethylcyclohexylamine |
|
|
183.38 |
|
|
TCMBANKIN022074 |
3-Methoxy-4-propoxybenzaldehyde |
57695-98-4; 3-methoxy-4-propoxy-benzaldehyde; ZINC01793726; SBB000330 |
C11H14O3 |
194.23 |
CCCOC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN022126 |
(S)-p-Mentha-1,8-dien-7-al |
ST5308426; (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde; (S)-(−)-Perillaldehyde; ZINC01529472; (−)-Perillaaldehyde; W355704_ALDRICH; 218294_ALDRICH; (4S)-4-isopropenylcyclohexene-1-carbaldehyde; (4S)-4-isopropenyl-1-cyclohexenecarboxaldehyde; InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H; (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde; 77302_FLUKA |
C10H14O |
150.22 |
CC(=C)C1CCC(=CC1)C=O |
|
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 |
|
TCMBANKIN022301 |
tuberostemonine C |
|
C22H33NO4 |
375.5 |
|
|
TCMBANKIN022320 |
(9aS)-2,5,9,9-tetramethyl-3,4,6,7,8,9a-hexahydrobenzo[7]annulene |
|
C15H24 |
204.35 |
|
|
TCMBANKIN022321 |
(1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene |
|
C10H16 |
136.23 |
|
|
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 |
|
|
TCMBANKIN022566 |
Diosphenol |
SCHEMBL873797; C09854; EINECS 207-704-9; AC1L2WHG; AC1Q6D64; QSIMLPCPCXVYDD-UHFFFAOYSA-N; Buchu camphor; 1-p-menthen-2-ol-3-one; CTK8I8590; LMPR0102090061; Barosma camphor; AKOS022505068; 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-; DTXSID5052127; diosphenol; Buccocamphor; AN-21384; 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one #; 2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; 2-hydroxy-6-isopropyl-3-methyl-cyclohex-2-en-1-one; 2-Hydroxypiperitone; 490-03-9; CHEBI:4632; 2-Hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one |
C10H16O2 |
168.23 |
CC1=C(C(=O)C(CC1)C(C)C)O |
|
TCMBANKIN022684 |
ledol |
1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1ar,4R,4as,7R,7as,7bs)-; 1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol #; (4S,7S)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-; (1aS,4S,4aR,7S,7aR,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol; Ledol; (+)-Ledol; AYXPYQRXGNDJFU-JDQINNIXSA-N; globulol; d-Ledol; AC1O5EIT; 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]- |
C15H26O |
222.37 |
CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
|
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 |
|
|
TCMBANKIN022932 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN023022 |
Ocimenol |
(5E)-2,6-dimethylocta-5,7-dien-2-ol; EINECS 227-806-7; 5986-38-9; 5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-; ocimenol; 2,6-Dimethyl-5,7-octadien-2-ol |
C10H18O |
154.25 |
CC(=CCCC(C)(C)O)C=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 |
|
TCMBANKIN023647 |
Dehydroxylinalool oxide A |
(6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyloxane; (6R)-2,2,6-trimethyl-6-vinyltetrahydropyran; (2R)-2-ethenyl-2,6,6-trimethyl-oxane |
C10H18O |
154.25 |
CC1(CCCC(O1)(C)C=C)C |
|
TCMBANKIN023663 |
Methylenetanshinquinone |
Tanshinquinone, methylene-; 1-Methyl-6-methylene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; 1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; 67656-29-5; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-; methylene tanshinquinone; Methylene tanshinquinone; 1-methyl-6-methylene-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; methylenetanshinquinone |
C18H14O3 |
278.3 |
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
|
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 |
|
TCMBANKIN024010 |
cedryl acetate |
8-β-H-Cedran-8-ol acetate |
C17H28O2 |
264.4 |
CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C |
|
TCMBANKIN024032 |
β-lonene |
|
|
174.31 |
|
|
TCMBANKIN024101 |
dihydrodioscorine |
|
C13H21NO2 |
223.31 g/mol |
CC1CC(=O)OC2(C1)CC3CCC2CN3C |
|
TCMBANKIN024249 |
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene |
|
|
280.39 |
|
|
TCMBANKIN024554 |
3-methyl-6-sec-butyl-2,5-piperazinedione |
|
|
184.27 |
|
|
TCMBANKIN024559 |
9-hydroxythymol |
|
C10H14O2 |
166.22 g/mol |
CC1=CC(=C(C=C1)C(C)CO)O |
|
TCMBANKIN024700 |
isoaromadendrene,epoxide |
|
|
220.39 |
|
|
TCMBANKIN024806 |
gamma-Terpinyl acetate |
(1-methyl-4-propan-2-ylidene-cyclohexyl) ethanoate; (4-isopropylidene-1-methyl-cyclohexyl) acetate; Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate; 1-Methyl-4-(1-methylethylidene)cyclohexyl acetate; acetic acid (4-isopropylidene-1-methyl-cyclohexyl) ester; acetic acid (4-isopropylidene-1-methylcyclohexyl) ester; (1-methyl-4-propan-2-ylidenecyclohexyl) acetate; LMPR01020101; C12302; 10235-63-9; EINECS 233-564-3; p-Menth-4-en-1-yl acetate |
C12H20O2 |
196.29 |
CC(=C1CCC(CC1)(C)OC(=O)C)C |
|
TCMBANKIN024946 |
sesquicineole |
|
C15H26O |
222.37 g/mol |
CC(=CCCC1(C2CCC(O1)(CC2)C)C)C |
|
TCMBANKIN025024 |
isopulegone |
Isopulegone (natural); 5-methyl-2-(1-methylethenyl)-cyclohexanone; SCHEMBL17067705; Isopulegone, (-)-; (-)-Isopulegone; ZINC100075758; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans- (9CI); (2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; AHQ6120987; 2-Isopropenyl-5-methylcyclohexanone #; 17882-43-8; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S-trans)-; trans-5-Methyl-2-(1-methylethenyl)cyclohexanone; 3alpha-Methyl-6beta-isopropenylcyclohexanone; 1-Isopropyl-4-methyl-2-cyclohexanone; trans-5-Methyl-2-(1-methylvinyl)cyclohexan-1-one; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S,5R)-; 8(9)-p-Menthen-3-one, delta-; UNII-AHQ6120987; pulegone; RMIANEGNSBUGDJ-BDAKNGLRSA-N; 29606-79-9; p-Menth-8-en-3-one, (1R,4S)-(-)-; UNII-681XD66YSR component RMIANEGNSBUGDJ-BDAKNGLRSA-N; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-; p-MENTH-8-EN-3-ONE, trans- |
C10H16O |
152.23 g/mol |
CC1CCC(C(=O)C1)C(=C)C |
|
TCMBANKIN025253 |
deoxyisoartemisinin b |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN025340 |
(E)-linalool oxide acetate pyr |
[(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] acetate; trans-Linalool oxide (pyranoid), acetate; [(3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl] ethanoate; [(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate; trans-Linalool oxide acetate (pyranoid); acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] ester; acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranyl] ester |
C10H18O2 |
170.25 |
CC(=O)OC1CCC(OC1(C)C)(C)C=C |
|
TCMBANKIN025409 |
(-)-Drimenol |
(-)-Drim-7-en-11-ol; ACon1_002057; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-; (1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol; delta7,(8)-15-Hydroxyiresane; [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-; 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- |
C15H26O |
222.37 |
CC1=CCC2C(CCCC2(C1CO)C)(C)C |
|
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 |
|
TCMBANKIN025538 |
colchine |
(R/S)-Colchicine; MLS001181527; HMS3267B14; NE55304; I06-0591; CCG-46868; MCULE-7902106432; DTXSID20274387; ST056390; IAKHMKGGTNLKSZ-UHFFFAOYSA-N; 064T868; SMR000567246; KSC621O9T; HMS2875H17; C22H25NO6; CC0177; AC1Q5ODH; TR-031757; (+/-)-Colchicine; FT-0665155; Benzo[a]heptalen-9(5H)-one,7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-; NCGC00094629-04; NCGC00094629-05; N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #; Epitope ID:141498; Neuro_000002; AC-281; M205; BRD-A46684810-001-04-6; SCHEMBL675246; KB-295593; J-013744; BC216204; AB00830494-06; CHEBI:23359; Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-; MFCD00078484; Colchine; N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0(2),]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide; CTK5C1799; NCGC00094629-03; N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; 209810-38-8; N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; Z1431321925; AKOS016374434; N-{3,4,5,14-TETRAMETHOXY-13-OXOTRICYCLO[9.5.0.0(2),?]HEXADECA-1(16),2,4,6,11,14-HEXAEN-10-YL}ACETAMIDE; AKOS003381878; MolPort-001-785-612; N-((7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetam ide; DB01394; NCGC00094629-01; NCGC00094629-06; AS-14691; 16416P; N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0;{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide; BBL010108; N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide; NCGC00094629-02; SBB079703; SR-01000636539-1; 54192-66-4; N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0?,?]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide; (S)-Colchicine >95%; STK801462; 1,2,3,10-Tetramethoxy-7-(acetylamino)-5,6,7,9-tetrahydrobenzo[a]heptalene-9-one; AC1L1EKN; CHEMBL87; N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl)acetamide; KB-86571 |
C22H25NO6 |
399.4 g/mol |
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
|
TCMBANKIN025914 |
cedrenol |
1H-3a,7-Methanoazulen-5-ol, octahydro-6-methylene-3,8,8-trimethyl-; 28231-03-0; AC1L3PKE; Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol; EINECS 248-917-7; DJYWGTBEZVORGE-UHFFFAOYSA-N; Cedr-8(15)-en-9-ol; 13567-41-4; 1405-91-0; LS-90491; 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-; 2,6,6-TRIMETHYL-8-METHYLIDENETRICYCLO[5.3.1.0(1),?]UNDECAN-9-OL; Cedr-8(15)-en-9-ol (8CI); AC1Q79EL; (+)-8(15)-Cedren-9-ol; SCHEMBL3504932; Octahydro-6-methylene-3,8,8-trimethyl-1H-3a,7-methanoazulen-5-ol; Cedrenol |
C15H24O |
220.35 |
CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O |
|
TCMBANKIN025926 |
7, 8-dihydroxy-4,5-dimethyl-3,4-dihydronaphthalen-1( 2H ) -one |
|
C15H22O |
218.33 |
CC1CCC(=O)C2=C1C(=CC(=C2O)O)C |
|
TCMBANKIN025993 |
l-Verbenone |
1196-01-6; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one; ZINC00967601; (1S,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-; AI3-23128; (1S,5S)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; Verbenone, (L)-; Pin-2-en-4-one; BB_NC-0220; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H; NSC 6831; EINECS 214-807-2 |
C10H14O |
150.22 |
CC1=CC(=O)C2CC1C2(C)C |
|
TCMBANKIN026003 |
Cyclopentenylpyrrolidine |
1-Pyrrolidino-1-cyclopentene; 1-(1-Pyrrolidinyl)cyclopentene; NSC29653; N-(Cyclopent-1-ene-1-yl)pyrrolidine; N-(1-Cyclopenten-1-yl)pyrrolidine; 1-Pyrrolidinocyclopentene; Pyrrolidine, 1-(1-cyclopenten-1-yl)-; 149446_ALDRICH; 1-(Cyclopent-1'-enyl)pyrrolidine; NSC 29653; 1-(1-Pyrrolidinyl)-1-cyclopentene; 1-(1-Pyrrolidino)cyclopentene; 1-(1-cyclopentenyl)pyrrolidine; 7148-07-4; EINECS 230-463-6; 1-(1-Cyclopenten-1-yl)pyrrolidine; 1-Cyclopentenylpyrrolidine |
C9H15N |
137.22 g/mol |
C1CCN(C1)C2=CCCC2 |
|
TCMBANKIN026047 |
linalool oxide, trans-pyranoid |
(3R,6S)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranol; (3R,6S)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol; linalool oxide IV (trans, pyranoid); (3R,6S)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol; (3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol |
C10H18O2 |
170.25 |
CC1(C(CCC(O1)(C)C=C)O)C |
|
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 |
|
TCMBANKIN026390 |
[(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[decalin-4,2'-tetrahydropyran]-1-yl] acetate |
acetic acid [(1R,3R,4R,4aS,8aS)-6'-keto-3,4a,8,8-tetramethyl-spiro[decalin-4,2'-tetrahydropyran]-1-yl] ester; [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] acetate; [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxane]-1-yl] ethanoate; acetic acid [(1R,3R,4R,4aS,8aS)-3,4a,8,8-tetramethyl-6'-oxo-1-spiro[decalin-4,2'-tetrahydropyran]yl] ester |
|
336.52 |
|
|
TCMBANKIN026535 |
[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] propanoate |
propanoic acid [(1S,2S,4S)-1,7,7-trimethyl-2-norbornanyl] ester; [(1S,4S,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] propanoate |
C13H22O2 |
210.31 |
|
|
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 |
|
|
TCMBANKIN026934 |
()-Cyclosativene |
448559_ALDRICH |
C15H24 |
204.35 |
|
|
TCMBANKIN026943 |
Dodecahydropyrido [1,2-b]isoquinolin -6-one |
|
C13H21NO |
207.31 g/mol |
C1CCC2C(C1)CC3CCCCN3C2=O |
|
TCMBANKIN027228 |
(+)-Maalioxide |
(-)-Maalioxide; 2H-Naphtho(1,8-bc)furan, decahydro-2,2,5a,8a-tetramethyl-, (2aS-(2aalpha,5aalpha,8aalpha,8bbeta))-; 53625-18-6; (+)-maalioxide |
C15H26O |
222.37 |
CC1(C2CCCC3(C2C(O1)(CCC3)C)C)C |
|
TCMBANKIN027292 |
dihydroepideoxyarteannuin b |
dihydro-epi-deoxyarteannuin b |
C15H22O2 |
234.33 |
CC1CCC2C(C(=O)OC23C1CCC(=C3)C)C |
|
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 |
|
TCMBANKIN027559 |
p-mentha-1,5-dien-8-ol |
p-Mentha-1, 5-dien-8-ol |
C10H16O |
152.23 g/mol |
CC1=CCC(C=C1)C(C)(C)O |
|
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 |
|
TCMBANKIN027749 |
(20S)-3β-acetoxy- 12β,16β-trihydroxydammar-24-ene |
|
|
518.86 |
|
|
TCMBANKIN027794 |
eudesmol |
Eudesmol; IGDPRNLDNSDIJI-HNQLUHSGSA-N; 2-Naphthalenemethanol, decahydro-.alpha.,.alpha.,4a,8-tetramethyl-, didehydro deriv., [2R-(2.alpha.,4a.alpha.,8a.beta.)]-; 2-[(2S,4aR)-4a,8-dimethyl-2,5,8,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol; beta-Eudesmol; AC1O5EEN |
C15H24O |
220.35 g/mol |
CC1C=CCC2(C1CC(C=C2)C(C)(C)O)C |
|
TCMBANKIN027871 |
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one |
|
C15H20O |
216.32 |
|
|
TCMBANKIN027876 |
2,3,4-Trimethyl-5-phenyloxazolidine |
2,3,4-trimethyl-5-phenyl-oxazolidine; 67061-79-4; 2,3,4-trimethyl-5-phenyloxazolidine; AC1NT18F; 2,3,4-trimethyl-5-phenyl-1,3-oxazolidine |
C12H17NO |
191.27 g/mol |
CC1C(OC(N1C)C)C2=CC=CC=C2 |
|
TCMBANKIN027985 |
dehydroabietan |
|
C20H30 |
270.45 |
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C |
|
TCMBANKIN028092 |
Korseverinine |
korseverinine |
C27H43NO2 |
413.64 |
CC1CCC2C(C3CCC4C(C3CN2C1)CC5=C4CC(C6C5(CCC(C6)O)C)O)C |
|
TCMBANKIN028120 |
Matatabiether |
2,5-dimethyl-9-methylidene-4-oxabicyclo[3.3.1]nonane; matatabiether; AC1NSXW1 |
|
166.29 |
CC1COC2(CCCC1C2=C)C |
|
TCMBANKIN028172 |
(1S,4aS,8aS)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol |
|
222.41 |
|
|
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 |
|
TCMBANKIN028361 |
Methyl 5-methylhexanoate |
5-methylhexanoic acid methyl ester; Hexanoic acid, 5-methyl-, methyl ester |
C8H16O2 |
144.21 |
CC(C)CCCC(=O)OC |
|
TCMBANKIN028477 |
(-)-Pulegone |
(5S)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one; 328847_ALDRICH; (S)-p-Menth-4(8)-en-3-one; (S)-2-Isopropylidene-5-methylcyclohexanone; 3391-90-0; InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H; Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-; (5S)-2-isopropylidene-5-methyl-1-cyclohexanone; (−)-Pulegone; ZINC01531630; 82579_FLUKA; (S)-(−)-Pulegone; (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one; (5S)-2-isopropylidene-5-methyl-cyclohexan-1-one |
C10H16O |
152.23 |
CC1CCC(=C(C)C)C(=O)C1 |
|
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 |
|
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 |
|
TCMBANKIN029103 |
1,6-dimethyl-1-isopropyl-1,2,3,4,4a,7-hexahydronaphthalene |
|
|
204.39 |
|
|
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 |
|
TCMBANKIN029481 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
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 |
|
TCMBANKIN029677 |
Longikaurin A |
longikaurin a |
C20H28O5 |
348.43 |
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C |
|
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 |
|
TCMBANKIN029775 |
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril |
4,8-dimethoxy-3-(3-methyl-2-oxo-but-3-enyl)-1H-quinolin-2-one; 4,8-dimethoxy-3-(3-methyl-2-oxobut-3-enyl)-1H-quinolin-2-one |
|
287.34 |
|
|
TCMBANKIN029891 |
methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate |
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butyric acid methyl ester; methyl 4-[2-methanoyl-5-(methoxymethyl)pyrrol-1-yl]butanoate; 4-[2-formyl-5-(methoxymethyl)-1-pyrrolyl]butanoic acid methyl ester |
|
239.3 |
|
|
TCMBANKIN029946 |
9-ethoxy-10-oxatricyclo[7.2.1.0(1,6)]dodecan-11-one |
9-Ethoxy-10-oxatricyclo[ 7.2.1.0(1, 6)] dodecan-11-one |
C13H20O3 |
224.3 g/mol |
CCOC12CCC3CCCCC3(C1)C(=O)O2 |
|
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 |
|
TCMBANKIN030144 |
ledane |
Ledane |
C15H26 |
206.37 |
CC1CCC2C(C2(C)C)C3C1CCC3C |
|
TCMBANKIN030162 |
caryophellene |
cis-4,11,11-trimethyl-8-methylene-bicyclo[7,2,0]-undec-4-ene |
C15H24 |
204.35 |
|
|
TCMBANKIN030227 |
(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methylhept-2-en-4-one |
(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methyl-hept-2-en-4-one |
C15H24O3 |
252.35 |
|
|
TCMBANKIN030787 |
ascaridole |
|
C10H16O2 |
168.23 |
CC(C)C12CCC(C=C1)(OO2)C |
|
TCMBANKIN030852 |
absinthin |
absinthin |
C30H40O6 |
496.64 |
CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O |
|
TCMBANKIN030882 |
rotundenol |
|
C15H24O |
220.35 |
CC1CCC2C1CC3CCC2(C(C3=C)O)C |
|
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 |
|
|
TCMBANKIN031640 |
(4aS,9aS)-2,9,9-trimethyl-5-methylene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
(4aS,9aS)-2,9,9-trimethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene |
C15H24 |
204.35 |
|
|
TCMBANKIN031643 |
scopolamine |
Scopolamine; SCHEMBL14973563; l-Scopolamine-hydrobromide; BSPBio_000953; 1-.alpha.-H, 6-.beta.,7-.beta.-epoxy-,(-)-tropate (ester), hydrobromide; Tranaxine; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; SMP1_000270; Scopolamine hydrobromide; AIDS-002711; Hyoscine hydrobromide; SCHEMBL180182; NSC61806 (HBR); Scopamin; Sereen; Scopolammonium bromide; nchembio.78-comp19; (-)-Scopolamine hydrobromide; Prestwick3_000877; Euscopol; (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate; AIDS002711; Isoscopil; Hysco; SCOPOLAMINE BROMIDE; l-Hyoscine hydrobromide; 114-49-8 (HBR); [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; NSC-61806; Beldavrin; Tropane alkaloid; 1.alpha.H, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester), hydrobromide; Scopolaminium bromide; Scopos; Kwells; MLS000758270; Benzeneacetic acid; CHEBI:16794; WLN: T C356 A AN DOTJ A1 HOVYR & 1Q & EH; Benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-; 114-49-8; NSC61806; Hyoscinehydrobromide; 6b,7b-Epoxy-1a H,5a H-tropan-3a-ol (-)-tropate (ester) hydrobromide; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; BPBio1_001049; 6533-68-2 (HBR, TRIHYDRATE); Hyoscine bromide |
C17H21NO4 |
303.35 g/mol |
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
|
TCMBANKIN031773 |
Aromadendrene oxide 2 |
11070_FLUKA |
C15H24O |
220.35 |
CC1CCC2C1C3C(C3(C)C)CCC24CO4 |
|
TCMBANKIN032028 |
sugeonyl acetate |
|
C17H24O3 |
276.4 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C |
|
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 |
|
TCMBANKIN032355 |
2-[(2S,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2S,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN032447 |
1-[(2S)-1-methyl-2-piperidyl]acetone |
1-[(2S)-1-methyl-2-piperidinyl]propan-2-one; 1-[(2S)-1-methylpiperidin-2-yl]propan-2-one; 1-[(2S)-1-methyl-2-piperidyl]propan-2-one |
C9H17NO |
155.24 |
|
|
TCMBANKIN032510 |
coumaperine |
|
C16H19NO2 |
257.33 |
C1CCN(CC1)C(=O)C=CC=CC2=CC=C(C=C2)O |
|
TCMBANKIN032653 |
Guaiol |
Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 |
C15H26O |
222.37 |
CC1CCC(CC2=C1CCC2C)C(C)(C)O |
|
TCMBANKIN032712 |
(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-; InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
C10H14O2 |
166.22 |
CC1CCC2=C(C(=O)OC2C1)C |
|
TCMBANKIN032829 |
diethyleniminophosphoryl-(4-methylphenyl)amine |
p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide; N-[bis(1-aziridinyl)phosphoryl]-4-methylaniline; N-[bis(aziridin-1-yl)phosphoryl]-4-methylaniline; N-[bis(aziridin-1-yl)phosphoryl]-4-methyl-aniline; p,p-Di(1-aziridinyl)-N-(4-methylphenyl)phosphinic amide |
C11H16N3OP |
237.24 g/mol |
CC1=CC=C(C=C1)NP(=O)(N2CC2)N3CC3 |
|
TCMBANKIN032920 |
isolinderoxide |
isolind-eroxide |
C16H20O2 |
244.33 |
CC1=C2CC3=C(CC2C4C1C4)OC=C3COC |
|
TCMBANKIN033292 |
3-(2-propenyl)-cyclooctene |
|
C11H18 |
150.26 |
C=CCC1CCCCCC=C1 |
|
TCMBANKIN033547 |
Medilla |
BRN 0142217; 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran; NCGC00016345-01; Cholonerton; 7-hydroxy-4-methyl-coumarin; Prestwick2_000901; Hymecromonum [INN-Latin]; CAS-90-33-5; C03081; NCI60_042099; 7-hydroxy-4-methyl-chromen-2-one; AI3-08085; CCRIS 5926; Cholestil; 4-Methylumbelliferon [Czech]; BSPBio_000742; ACon1_002401; Imecromone; NSC9408; NSC 9408; LM-94; Hymecromone [USAN:INN:JAN]; Cumarote-C; 7-Hydroxy-4-methylcoumarin; Hymecromone (JP15/USAN/INN); 7-hydroxy-4-methyl-2-chromenone; Bilicante; M1381_SIGMA; D00170; Omega 127; Bilcolic; 7-hydroxy-4-methyl-2H-chromen-2-one; ZINC00058121; CPD-182; NSC19026; BPBio1_000818; Cantabiline (TN); SPBio_002941; MEGxp0_001898; 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-; Crodimon; AIDS-018190; AIDS018190; Eurogale; 4-Methyl-7-hydroxycoumarin; NSC 19026; 4-Methylumbelliferon; SR-01000637483-1; beta-Methylumbelliferone; SMR000471886; Cantabiline; WLN: T66 BOVJ E1 IQ; 4-MU; 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-; Coumarin 4; Cantabilin; LM 94; Prestwick0_000901; MLS001074671; Himecromona [INN-Spanish]; .beta.-Methylumbelliferone; 4-methylumbelliferone; 56275-29-7; 4-Methyl-umbelliferone; 7-Hydroxy-4-methyl-2H-2-chromenone; CHEBI:17224; Pilot 447; Prestwick1_000901; Maybridge1_002078; 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-; 7-hydroxy-4-methylchromen-2-one; 5-18-01-00439 (Beilstein Handbook Reference); nchembio.2007.28-comp4; METHYLUMBELLIFERONE, BETA; Coumarin, 7-hydroxy-4-methyl-; Hymecromon; Hymecromone; 69580_FLUKA; EINECS 201-986-7; Imecromone [DCIT]; SBB009085; Prestwick3_000901; Mendiaxon; 90-33-5 |
C10H8O3 |
176.17 |
CC1=CC(=O)OC2=C1C=CC(=C2)O |
|
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 |
|
TCMBANKIN033867 |
Isocalamendiol |
isocalamendiol |
C15H26O2 |
238.37 |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN033914 |
carvenone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=CC1=O)C(C)C |
|
TCMBANKIN034051 |
β-cadinol |
|
|
222.41 |
|
|
TCMBANKIN034096 |
picrocrocin_qt |
|
C16H26O7 |
330.37 |
|
|
TCMBANKIN034159 |
Yibeinoside B_qt |
|
C33H53NO7 |
575.78 |
|
|
TCMBANKIN034170 |
(1S,6R)-6-isopropyl-3-methyl-1-cyclohex-3-enol |
(1S,6R)-3-methyl-6-propan-2-ylcyclohex-3-en-1-ol; (1S,6R)-3-methyl-6-propan-2-yl-cyclohex-3-en-1-ol; (1S,6R)-6-isopropyl-3-methyl-cyclohex-3-en-1-ol |
C10H18O |
154.25 |
|
|
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 |
|
TCMBANKIN034572 |
Bilobanol |
bilobanol |
|
234.37 |
CC1=CCC(CC1O)C2=COC(=C2)CC(C)C |
|
TCMBANKIN034667 |
(-)-Tabernemontanine |
|
C21H26N2O3 |
354.44 |
CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
|
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 |
|
TCMBANKIN034838 |
(E)-α-santalal |
|
|
218.37 |
|
|
TCMBANKIN034873 |
Methyl 2-ethylhexyl phthalate |
|
C17H24O4 |
292.37 |
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN035035 |
epsilon-Cadinene |
AC1NST8E; (4aR)-4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene; epsilon-cadinene |
C15H24 |
204.35 g/mol |
CC(C)C1CCC(=C)C2C1CC(=C)CC2 |
|
TCMBANKIN035051 |
1-Deoxyeucommiol |
1-deoxyeucommiol; 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol; 2-[(1R)-2,3-bis(hydroxymethyl)-1-cyclopent-2-enyl]ethanol; 2-[(1R)-2,3-dimethylol-1-cyclopent-2-enyl]ethanol; AC1NSUE9 |
C9H16O3 |
172.22 g/mol |
C1CC(=C(C1CCO)CO)CO |
|
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 |
|
TCMBANKIN035365 |
cis-p-2,8-Menthadien-1-ol |
1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
|
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 |
|
TCMBANKIN035502 |
d-Piperitone |
InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H; 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-; 89-81-6; alpha-Piperitone; (6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; (6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; (6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; FEMA No. 2910; Piperitone, alpha-; LMPR01020066; (S)-piperitone; 2-Cyclohexen-1-one, 3-methyl-6-(1-methyethyl)-, (S)-; d-Piperitone (natural); C09885; (+)-Piperitone; 4-Isopropyl-1-methyl-1-cyclohexen-3-one; 6091-50-5; (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one; CHEBI:41; 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-one, (S)-; (S)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one; 6-isopropyl-3-methylcyclohex-2-en-1-one; PIPERITONE, D-; (6S)-6-isopropyl-3-methyl-1-cyclohex-2-enone |
C10H16O |
152.23 |
CC1=CC(=O)C(CC1)C(C)C |
|
TCMBANKIN035509 |
trans-Pinocarveyl acetate |
EINECS 254-628-7; 39776-85-7; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3R,5R)-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3beta,5alpha))-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] ester; [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-3-norpinanyl] ester |
C12H18O2 |
194.27 |
CC(=O)OC1CC2CC(C1=C)C2(C)C |
|
TCMBANKIN035537 |
mansumbin-13(17)-en- 3,16-dione |
|
|
328.54 |
|
|
TCMBANKIN035576 |
ZINC00407077 |
|
C9H14N2O |
166.22 |
|
|
TCMBANKIN035766 |
ACETIC ACID,BORNYL ESTER |
ZINC00404304; acetic acid [(1R,2R,4R)-1,7,7-trimethyl-2-norbornanyl] ester; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate; [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] acetate; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H |
C12H20O2 |
196.29 |
|
|
TCMBANKIN035819 |
AI3-23133 |
(1R,2S,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(+)-; (1R,2S,5R)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enol; (1R-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; 22339-08-8; EINECS 244-920-2; ZINC02242636 |
C10H16O |
152.23 |
CC1=CC(C2CC1C2(C)C)O |
|
TCMBANKIN035926 |
epilupeol acetate |
|
C32H52O2 |
468.75 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
|
TCMBANKIN036097 |
Homoarecoline |
5497-43-8; BRN 0125290; 28125-84-0; 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid ethyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER; Arecaidine-ethyl ester; Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate; homoarecoline; ethyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate |
C9H15NO2 |
169.22 |
CCOC(=O)C1=CCCN(C1)C |
|
TCMBANKIN036352 |
salviolone |
|
C18H20O2 |
268.35 |
CC1=C(C(=O)C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
|
TCMBANKIN036384 |
[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate |
[(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; 20777-36-0; 50539-17-8; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-; acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester; [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate; acetic acid [(1R,2R,5R)-2-isopropyl-5-methylcyclohexyl] ester |
C12H22O2 |
198.3 |
CC1CCC(C(C1)OC(=O)C)C(C)C |
|
TCMBANKIN037002 |
Danshenspiroketallactone |
dan shen-spiroketallactone; danshen spiroketallactone |
|
268.31 g/mol |
|
|
TCMBANKIN037030 |
neostemonine |
|
C18H25NO4 |
319.4 |
CC1C2C3CCCN3CCCC2OC1=C4C(=C(C(=O)O4)C)OC |
|
TCMBANKIN037067 |
β-Cedrene |
beta-cedrene; DYLPEFGBWGEFBB-OSFYFWSMSA-N; CTK8F1427; A-Cedrene; (+)-; (+)-?-CEDRENE; 6QL7ERD5Q1; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-; AKOS015896901; 546-28-1; KB-62482; (+)-beta-Funebrene; (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC); 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-; UNII-6QL7ERD5Q1; (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-; (+)-beta-Cedrene; ZINC59778864; (+)-.beta.-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; .beta.-Cedrene; EINECS 208-898-8; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-; beta-Cedrene |
|
204.35 |
|
|
TCMBANKIN037169 |
Oxyphyllol A |
7-Isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-ol; 1-naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1R,4aR,7R)-; (1R,4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; oxyphyllol a; (1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; InChI=1/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3/t12-,14-,15-/m1/s; rel-(1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol |
C30H39Cl2N5O4S2 |
668.7 |
CC(=C)C1CCC2(CCCC(C2=C1)(C)O)C |
|
TCMBANKIN037392 |
Corypalline |
NSC131674; 450-14-6; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; corypalline |
|
193.24 |
|
|
TCMBANKIN037459 |
N-(p-Hydroxyphenethyl) actinidine |
n-(p-hydroxyphenethyl)actinidine |
C18H22NO |
268.4 g/mol |
C1(C([H])([H])[H])=C([H])N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])C3=C1C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[H] |
|
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 |
|
TCMBANKIN037525 |
Angeloylgomisin H |
angeloylgomisin h; angeloyl gomisin h |
C28H36O8 |
501 |
C([H])([H])([H])\C([H])=C(\C(=O)Oc1c2c(C([H])([H])[C@@](C([H])([H])[H])([H])[C@@](C([H])([H])[H])(O[H])C([H])([H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c3OC([H])([H])[H])c23)c([H])c(OC([H])([H])
[H])c1OC([H])([H])[H])/C([H])([H])[H] |
|
TCMBANKIN037541 |
alpha-Cubebene |
α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 |
C15H24 |
204.351 |
C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN037581 |
erythraline |
SCHEMBL19584883; UNII-J7P8WA50QO; CHEMBL518262; Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-(methylenebis(oxy))-, (3beta)-; J7P8WA50QO; 466-77-3; Erythraline; Erythralin |
C18H19NO3 |
297.3 g/mol |
COC1CC23C(=CCN2CCC4=CC5=C(C=C34)OCO5)C=C1 |
|
TCMBANKIN037619 |
Cyperolone |
SCHEMBL19419895; AC1NSU4M; 1-[(3S,3aR,5R,7aS)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; CHEBI:80814; cyperolone; DTXSID90415700; 1-[(3S,3aR,5R,7aS)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; C16946; 13741-46-3 |
|
236.35 |
|
|
TCMBANKIN037671 |
bicyclogermacrene |
Bicyclogermacrene; CHEMBL509566; CHEBI:63709; bicyclogermacrene |
C15H24 |
204.351 |
C1(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C2([H])[H])[C@@]12[H] |
|
TCMBANKIN037715 |
isoaromadendrene epoxide |
Isoaromadendrene epoxide |
C15H24O |
220.35 |
C([H])([H])([H])[C@@]1([H])[C@]([H])([C@@]2([H])[C@@]([H])(C([H])([H])[C@@]3([H])[C@]4(C([H])([H])[H])O3)C2(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])C([H])([H])C1([H])[H] |
|
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] |
|
TCMBANKIN038399 |
α-Santalene |
ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE |
|
204.35 |
|
|
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] |
|
TCMBANKIN038496 |
cascarillin c |
|
C22H30O5 |
374.5 g/mol |
CC1C(CC2(C(C13CC(OC3O)C4=COC=C4)CCC=C2C)C)OC(=O)C |
|
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 |
|
|
TCMBANKIN038736 |
3beta-Hydroxy-atractylon |
3beta-hydroxy-atractylon |
C15H20O2 |
232.318 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])c(oc([H])c2C([H])([H])[H])c2C3([H])[H])[C@]3([H])C(=C([H])[H])[C@]1([H])O[H] |
|
TCMBANKIN038827 |
trans-limonene oxide |
|
C10H16O |
152.233 |
[C@]12([H])[C@@](C([H])([H])[H])(O1)C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])=C([H])[H])C2([H])[H] |
|
TCMBANKIN039214 |
Isostrychnine N-oxide (I) |
isostrychnine n-oxide(i); isostrychnine n-oxide (i) |
|
352.47 |
|
|
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 |
|
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 |
|
|
TCMBANKIN039609 |
Epidanshenspiroketallactone |
|
|
340.4 g/mol |
|
|
TCMBANKIN039868 |
isocurcumenol |
isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol |
C15H22O2 |
234.334 |
[C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
|
TCMBANKIN039885 |
Senkyunolide E |
senkyunolide-E; senkyunolide e; senkyunolide E |
|
204.22 g/mol |
|
|
TCMBANKIN040127 |
przewalskin c |
|
C21H30O3 |
330.5 g/mol |
CC(C)C1=C(C(=C2CC3=CCCC(C3CC(C2=C1)OC)(C)C)O)O |
|
TCMBANKIN040661 |
Pseudostrychnine |
pseudostrychnine |
C21H22N2O3 |
350.41 |
C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2(C61C7=CC=CC=C75)O |
|
TCMBANKIN040702 |
Globulol |
viridiflorol |
C15H26O |
222.366 |
[C@@]1(C([H])([H])[H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C2(C([H])([H])[H])C([H])([H])[H])[C@]2([H])[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]13[H] |
|
TCMBANKIN040725 |
voacangine |
voacangine ; SCHEMBL17340578 |
C22H28N2O3 |
368.47 |
CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
|
TCMBANKIN040828 |
3-O-tiglate derivative |
|
|
278.38 |
|
|
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 |
|
TCMBANKIN041862 |
trans-carane-cis 4-ol |
|
C10H18O |
154.25 |
|
|
TCMBANKIN041935 |
linderalactone |
ST24035668; LWCKQMHMTSRRAA-QGQQYVBWSA-N; C17425; AKOS015897170; I07-0309; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)-(+)-; Linderalactone; MCULE-1529191421; 6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, [R-(E)]-; MolPort-005-945-802; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4R,10E)-; 857366-20-2; 728L610; 728-61-0; AK103578; isolinderalactone; (R,E)-3,11-Dimethyl-8,9-dihydro-4H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6(12H)-one; 32663-41-5; ZINC13532008; NCGC00385309-01_C15H16O3_(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one; 6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (R-(E))-; CHEMBL1080239; (1R,8E)-3,8-DIMETHYL-5,14-DIOXATRICYCLO[10.2.1.0(2),?]PENTADECA-2(6),3,8,12(15)-TETRAEN-13-ONE; NP-013325; AJ-64075; CHEBI:69074; Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6alpha-hydroxy-, gamma-lactone, (E)-(+)-; 1312AC |
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN042036 |
tuberostemonine A |
|
C22H33NO4 |
375.5 |
CCC1C2CCCCC3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN042372 |
Preskimmianine |
|
|
303.35 |
|
|
TCMBANKIN042684 |
GA120 |
|
C19H21O4- |
313.4 g/mol |
CC12CC=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)[O-])OC2=O |
|
TCMBANKIN042874 |
baimuxinal |
CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal |
C15H24O2 |
236.35 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
|
TCMBANKIN042969 |
β-panasinsene |
beta-Phellandrene; beta-Panasinsene |
C15H24 |
204.35 |
CC1(CC23C1CCC2(CCCC3=C)C)C |
|
TCMBANKIN043002 |
9-O-angeloyl derivative |
|
|
278.38 |
|
|
TCMBANKIN043109 |
calodendrolide |
|
C15H16O4 |
260.285 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([C@]([H])(O3)C(=O)O[C@@]2([H])c4c([H])c([H])oc4[H])C(C([H])([H])[H])=C1[H] |
|
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 |
|
|
TCMBANKIN043562 |
Nigakilactone D |
|
|
388.5 g/mol |
|
|
TCMBANKIN043806 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN044018 |
Previtexilactone |
previtexilactone |
|
379 |
|
|
TCMBANKIN044214 |
α-Patchoulene |
KVQOADNSNSUAJT-UHFFFAOYSA-N; alpha-patchoulene; (1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel-; alpha-Patchoulene; AC1LAVYC; .alpha.-Patchoulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a.alpha.-hexahydro-1.beta.,4,9,9-tetramethyl- |
|
204.35 |
|
|
TCMBANKIN044447 |
Tussilagine |
tussilagine; 91108-33-7; 80151-77-5; C10411; (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid methyl ester; methyl (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate; (1S,2S,8S)-2-hydroxy-2-methyl-pyrrolizidine-1-carboxylic acid methyl ester |
C10H17NO3 |
199.25 |
CC1(CN2CCCC2C1C(=O)OC)O |
|
TCMBANKIN044453 |
Isospathulenol |
isospathulenol |
C15H24O |
220.35 g/mol |
CC1=C2CCC(C2C3C(C3(C)C)CC1)(C)O |
|
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 |
|
TCMBANKIN045065 |
Tirucallol |
(3S,5R,10S,13S,14S)-17-((S)-1,5-Dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5R,10S,13S,14S)-17-[(1S)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,5R,10S,13S,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; AC1LAPT0; Tirucalla-8,24-dien-3 beta-ol |
|
426.72 |
|
|
TCMBANKIN045202 |
α-Panasinsene |
α-panasinsene |
|
204.39 |
|
|
TCMBANKIN045207 |
cis-Widdrol alpha-epoxide |
cis-widdrol α-epoxide; cis-widdrol alpha-epoxide |
C15H26O2 |
238.366 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([C@]([H])(O3)C([H])([H])[C@@](C([H])([H])[H])(O[H])C([H])([H])C2([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN045475 |
lismol |
|
|
220.39 |
|
|
TCMBANKIN045676 |
Yuziphine |
|
|
299.36 |
|
|
TCMBANKIN045722 |
isofraxinellone |
|
C14H20O3 |
236.307 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@@]2([H])C([H])([H])C([H])([H])OC2([H])[H])OC3=O)[C@]3([H])C(C([H])([H])[H])=C1[H] |
|
TCMBANKIN045804 |
aristolactone |
|
C15H20O2 |
232.32 |
CC1=CCCC2=CC(C(CC1)C(=C)C)OC2=O |
|
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 |
|
TCMBANKIN046190 |
agarospirol |
AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL |
C15H26O |
222.37 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
|
TCMBANKIN046268 |
Trans-piperitol |
C03039; trans-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol; (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol; 75363-65-4; trans-piperitol; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-; (1R,6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-ol; (1R,6R)-6-isopropyl-3-methyl-1-cyclohex-2-enol; 16721-39-4; EINECS 240-777-5; (1R,6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-ol; (+)-trans-Piperitenol |
C10H18O |
154.249 |
C([H])([H])([H])C1=C([H])[C@]([H])(O[H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
|
TCMBANKIN046503 |
lindestrene |
AC1NSXL4; SCHEMBL13772561; (8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran |
C15H18O |
214.3 |
CC1=COC2=C1CC3C(=C)CC=CC3(C2)C |
|
TCMBANKIN046514 |
Kobusone |
CHEBI:80842; Kobusone; C16983 |
|
222.32 |
|
|
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] |
|
TCMBANKIN046693 |
vulgarole |
|
C12H20O3 |
212.28 g/mol |
CC(=O)OC1C(C2CCC1(C2(C)C)C)O |
|
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 |
|
TCMBANKIN047216 |
dihydrokaranone |
(?)-Dihydrokaranone; (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one; (4aR,5S)-3-isopropylidene-4a,5-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one; dihydrokaranone; 19598-45-9 |
C15H22O |
218.335 |
C1(=O)\C(=C(/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[C@@]2(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])=C1[H] |
|
TCMBANKIN047242 |
Neostenine |
neostenine ; isostenine |
|
277.4 |
|
|
TCMBANKIN047793 |
dictamnol |
|
C12H22O |
182.302 |
C1([H])([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[C@]2([H])[C@](O[H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN048007 |
9-O-isobutyryl derivative |
|
|
266.37 |
|
|
TCMBANKIN048128 |
homalomenol |
|
C15H26O2 |
238.366 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]2([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN048137 |
3-O-(3-methyl-2-butenoyl) derivative |
|
C16H22O4 |
278.343 |
c1([H])c(C([H])([H])[H])c([H])c(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)c([C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])O[H])c1[H] |
|
TCMBANKIN048579 |
galeopsin |
[(1S,2R,8aS)-1-[2-(furan-3-yl)ethyl]-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl] acetate; AC1NSVMA |
C22H32O5 |
376.49 |
CC(=O)OC1(C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C)C |
|
TCMBANKIN048756 |
9-acetoxythymol 3-O-tiglate |
9-acetoxythymo l3-o-tiglate |
C17H22O4 |
290.4 g/mol |
CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(C)COC(=O)C |
|
TCMBANKIN048813 |
cnidiadin |
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 2-methylpropanoate; AC1NSTQ7 |
C18H18O5 |
314.333 |
C(OC(c(c([H])c(c(OC1=O)c2C([H])=C1[H])c3c([H])c2[H])o3)(C([H])([H])[H])C([H])([H])[H])(=O)C([H])(C([H])([H])[H])C([H])([H])[H] |
|
TCMBANKIN048919 |
artemisia alcohol |
77363-66-7; (4R)-3,3,6-Trimethyl-1,5-heptadien-4-ol; (4R)-3,3,6-TRIMETHYLHEPTA-1,5-DIEN-4-OL; 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, (R)-; CTK2G0253 |
C10H18O |
154.249 |
[C@]([H])(C(C([H])([H])[H])(C([H])=C([H])[H])C([H])([H])[H])(O[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN049251 |
nardosinone |
NSC133568; AC1L5TPP; 1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one; CTK7H3177; NSC-133568; nardosinone; 1,1,9,9a-tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5h-naphtho[2,1-c][1,2]dioxol-5-one |
C15H22O3 |
250.333 |
C1([H])([H])C([H])=C(C(=O)C([H])([H])[C@@]([H])(OOC2(C([H])([H])[H])C([H])([H])[H])[C@@]23[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN049727 |
Aristolone |
UGVIZCBJCSXBCJ-RQIDDHSMSA-N; Aristol-9-en-8-one #; 6831-17-0; 2H-Cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a.beta.,4,5,6,7,7a,7b.beta.-octahydro-1,1,7.beta.,7a.beta.-tetramethyl-; aristolone; AC1O5EP0; (7R,7aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one |
C15H22O |
218.33 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
TCMBANKIN049783 |
Artemisia triene |
artemisia triene; (3E)-2,5,5-trimethylhepta-1,3,6-triene; 1,3,6-Heptatriene, 2,5,5-trimethyl-; Artemesia triene |
|
136.23 |
|
|
TCMBANKIN049954 |
Benzyl isovalerate |
Butanoic acid, 3-methyl-, phenylethyl ester; Isopropyl acetic acid, benzyl ester; Benzyl isovalerate (natural); 3-methylbutanoic acid phenylmethyl ester; Butanoic acid, 3-methyl-, phenylmethyl ester; Isovaleric acid, benzyl ester; EINECS 203-106-7; NSC46124; 103-38-8; AI3-02953; NSC 46124; ST5407469; Isopentanoic acid, phenylmethyl ester; Phenylmethyl 3-methylbutanoate; WLN: 1Y1&1VO1R; Benzyl 3-methyl butyrate; Benzyl 3-methylbutanoate; Benzyl isopentanoate; BRN 2503435; 3-methylbutyric acid benzyl ester; Benzyl isovalerianate; ZINC01677791; W215201_ALDRICH; FEMA No. 2152; Benzyl 3-methylbutyrate |
C12H16O2 |
192.25 |
CC(C)CC(=O)OCC1=CC=CC=C1 |
|
TCMBANKIN050067 |
furanogermacra-1E,10(15)-dien-6-one |
(1E)- 8,12-epoxygermacra-1,7,10,11-tetraen-6-one |
C15H18O2 |
230.302 |
C([H])(=C([H])/C(=C([H])[H])C([H])([H])c(oc([H])c1C([H])([H])[H])c1C(=O)C([H])([H])[C@@]2([H])C([H])([H])[H])/C2([H])[H] |
|
TCMBANKIN050332 |
Isohumulone A |
|
|
362.5 g/mol |
|
|
TCMBANKIN057964 |
Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid |
γ-aminobutyric acid |
C4H9NO2 |
|
C(CC(=O)O)CN |
|
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 |
|
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 |
|
TCMBANKIN058046 |
allyl isothiocyanate |
Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard |
C4H5NS |
99.16 g/mol |
C=CCN=C=S |
|
TCMBANKIN058094 |
5-HMF |
5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) |
C6H6O3 |
126.11 g/mol |
C1=C(OC(=C1)C=O)CO |
|
TCMBANKIN058124 |
protocatechualdehyde |
UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 |
C7H6O3 |
138.12 |
C1=CC(=C(C=C1C=O)O)O |
|
TCMBANKIN058163 |
hydroxytyrosol |
AIDS470832; 10597-60-1; beta-3,4-Dihydroxyphenylethyl alcohol; 4-(2-hydroxyethyl)pyrocatechol; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 3,4-Dihydroxyphenylethanol; 2-(3,4-Dihydroxyphenyl)ethanol; dopet; AIDS-470832; 4-(2-hydroxyethyl)benzene-1,2-diol; Hydroxytyrosol; ST5437419; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol |
C8H10O3 |
154.16 g/mol |
C1=CC(=C(C=C1CCO)O)O |
|
TCMBANKIN058213 |
kaemferol;kampferol;kaempferol;campherol |
TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN058295 |
salireposide |
beta-D-Glucopyranoside, 2-((benzoyloxy)methyl)-4-hydroxyphenyl;[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl benzoate; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl benzoate; benzoic acid [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl] ester; 16955-55-8; [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate; benzoic acid [5-hydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl ester |
C20H22O9 |
406.4 g/mol |
C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058394 |
coumarin |
KBio3_002764; HSDB 1623; coumari; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 |
C9H6O2 |
146.14 |
C1=CC=C2C(=C1)C=CC(=O)O2 |
|
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 |
|
TCMBANKIN058623 |
piperoleine b |
piperolein b |
C21H29NO3 |
343.5 g/mol |
C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
|
TCMBANKIN058625 |
Lupinidine |
Esparteina [INN-Spanish]; BRN 3540601; [7S-(7.alpha.,7a.alpha.,14.alpha.,14a.beta.)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-; (-)-Sparteine sulfate salt; (7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine; AIDS002701; DivK1c_000631; SBB012438; L-SPARTEINE; IDI1_000631; EINECS 201-988-8; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, decahydro-, (7R,7aR,14R,14aS)-; 492-08-0; NINDS_000631; Depasan (Sulfate pentahydrate); NSC376144 (SULFATE); 6-alpha,7-beta,9-beta,11-beta-Sparteine; 6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine; Tocosamine (Sulfate pentahydrate); 6160-12-9 (SULFATE PENTAHYDRATE); Sparteine, d-isomer; 299-39-8 (SULFATE); 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-; 90-39-1(FREE BASE ); Sparteinum [INN-Latin]; d-Sparteine; AIDS-002701; (+)-Sparteine; 5-23-05-00497 (Beilstein Handbook Reference); Sparteina [DCIT]; KBio1_000631;pachycarpine |
C15H26N2 |
234.38 g/mol |
C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
|
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 |
|
TCMBANKIN058634 |
lycorine |
AC-20268; CHEMBL583716; 2-epi-Lycorine; ZINC21992900; AKOS015965245; Licorine; NCI60_003767; UNII-I9Q105R5BU; ST24047513; Amarylline; HMS3402B04; QTL1_000052; AN-24834; HMS1989B04; 3,3a-Didehydrolycoran-1alpha,2beta-diol; NSC-683873; AN-50515; AJ-46629; AX8136904; KBio3_000043; 3,12-[methylenebis(oxy)]-galanthan-1.alpha.,2.beta.-diol; MolPort-000-882-129; Galanthidine; Bio2_000022; KBioSS_000022; Lycorine hydrochloride; DTXSID60197208; NCGC00163413-02; EINECS 207-503-6; KBio2_005158; ZINC3881372; KBio2_000022; AC1L2HYJ; 2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, (1S,2S,12bS, 12cS)-; CHEBI:6601; SC-19266; CCG-208232; GNF-PF-4974; KBio3_000044; C08532; LS-88398; AC1Q6ZRB; Lycoran-1-alpha,2-beta-diol, 3,3-alpha-didehydro-; MFCD00243111; Lycoran-1alpha,2beta-diol, 3,3a-didehydro- (8CI); SCHEMBL626071; NSC683873; Bio2_000502; (-)-Lycorine; CHEMBL400092; IDI1_033772; KBioGR_000022; KBio2_002590; BDBM50221066; HMS1361B04; NSC-401360; Likorin; MFCD00221746; NSC 401360; NCGC00163413-01; I9Q105R5BU; BSPBio_001302; 9,10-(methylenedioxy)-3,12-didehydrogalanthan-1alpha,2beta-diol; lycorine; MCULE-4471227410; BRD-K64909280-001-02-7; Galanthan-1, 3,4-didehydro-11,12-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-; Lycoran-1alpha,2beta-diol, 3,3a-didehydro-; 476-28-8; Galanthan-1, 3,12-didehydro-9,10-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-; Lycoran-1.alpha., 3,3a-didehydro-; BCBcMAP01_000100; NSC401360; HMS1791B04; Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1-alpha,2-beta)-; ST085774; STOCK1N-67168; SMP1_000184; Narcissine; Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1-alpha,2-beta)- (9CI); AK115153; 3,2.beta.-diol; 2,5,7,12b,12c-Hexahydro-1H-[1,3]-dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol; AKOS000278045; (-)-lycorine; narcissine |
C16H17NO4 |
287.31 g/mol |
C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4 |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|
TCMBANKIN058726 |
selina-4(15),7(11)-diene |
eudesma-4-(14), 7(11)diene; Gamma-Selinene; eudesma-4(14),7(11)-diene; (4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene; CHEBI:138051; gamma-selinene; Selina-4(15),7(11)-diene; 515-17-3; C21707; Selina-4(14),7(11)-diene; (4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene; RMZHSBMIZBMVMN-LSDHHAIUSA-N; Eudesma-4(14),7(11)-diene |
C15H24 |
204.35 g/mol |
CC(=C1CCC2(CCCC(=C)C2C1)C)C |
|
TCMBANKIN058728 |
Artemisia ketone |
3,3,6-Trimethyl-1,5-heptadien-4-one #; UNII-0JA03K53PD; Isoartemisia ketone; OTYVBQZXUNBRTK-UHFFFAOYSA-N; 1,5-Heptadien-4-one,3,3,6-trimethyl-; artemisia ketone ; ZINC1846548; 546-49-6; 1,5-Heptadien-4-one, 3,3,6-trimethyl-; Isoartemisiaketon; 11105_FLUKA; AC1Q5BHU; EINECS 208-903-3; SCHEMBL3159032; 3,3,6-Trimethyl-1,5-heptadien-4-one; CTK5A2078; 0JA03K53PD; artemisia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; Artemesia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; 3,3,6-Trimethylhepta-1,5-dien-4-one; Artemesia; DTXSID60203030; FT-0691953; CJ-30255; AC1L29KD; 3,3,6-trimethyl-hepta-1,5-dien-4-one; KB-47443 |
C10H16O |
152.23 |
CC(=CC(=O)C(C)(C)C=C)C |
|
TCMBANKIN058735 |
3-(3-methylbut-2-enylidene)oxindole |
3-(3-methylbut-2-enylidene)-1H-indol-2-one; 3-(3-methylbut-2-enylidene)-2-indolinone; 3-(3-methylbut-2-enylidene)indolin-2-one;(e)-3-(3'-methyl-2'-buteny lidene)-2-indolinone;(e)-3-(3'-methyl-2'-butenylidene)-2-indolinone |
C13H13NO |
199.25 g/mol |
CC(=CC=C1C2=CC=CC=C2NC1=O)C |
|
TCMBANKIN058739 |
crocetin |
2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI); C08588; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; AIDS-073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-;.alpha.-Crocetin; 8,8'-diapo-8,8'-carotenedioate; 8,8'-diapo-psi,psi-carotenedioate; AIDS073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-; Crocetin; 27876-94-4; crocetin(2-); 8,8'-Diapocarotenedioic acid; NCI60_003871; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; LMPR01070223; CHEBI:62767; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; 8,8'-Diapo-psi,psi-carotenedioic acid; EINECS 248-708-0; CCRIS 7484; Natural yellow 6; NSC 407300; CI 75100; 8,8'-diapocarotene-8,8'-dioate; 8,8'-diapocarotenedioate; crocetin dianion; α-crocetin |
C20H24O4 |
328.4 |
CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O |
|
TCMBANKIN058759 |
(R)-Lavandulol |
(2R)-2-isopropenyl-5-methylhex-4-en-1-ol; Lavandulol (6CI); 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-; 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI); (-)-Lavandulol; (R)-(-)-Lavandulol; lavandulol (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol; (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol; (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol; 498-16-8; 21090-68-6; (2R)-5-methyl-2-prop-1-en-2-yl-hex-4-en-1-ol; (2R)-2-isopropenyl-5-methyl-hex-4-en-1-ol |
C10H18O |
154.25 |
CC(=CCC(CO)C(=C)C)C |
|
TCMBANKIN058836 |
(5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
hydrofarnesylacetone; (5E,9E)-farnesyl acetone; farnesylacetone; CHEBI:67252; FEMA No. 3442; Farnesylacetone; trans, trans-farnesylacetone; DTXSID5061087; EINECS 212-097-9; AC1LVUAM; 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; AN-20576; (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 3S0G4N267H; farnesylacetol; ST24026309; Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-; 46195_FLUKA; SCHEMBL17273769; SBB012619; AJ-61341; UNII-3S0G4N267H; 762-29-8; 36115P; Farnesyl acetone; 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-; LTUMRKDLVGQMJU-UHFFFAOYSA-N; LTUMRKDLVGQMJU-IUBLYSDUSA-N; EINECS 214-246-3; AK112408; 117F528; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; AKOS015963256; Farnesylacetone, technical, mixture of stereo isomers, >=90% (GC); S408; Farnesyl acetone, (5E,9E)-; 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one; E,E-farnesylacetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-; 1117-52-8; ZERO/001267; Farnesylacetone, mixture of isomers; trans,trans-farnesylacetone; 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-; AC1Q1K55; MolPort-005-306-293; MFCD00036517; ZINC12358879; KB-208683; farnesyl acetone; 2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one; UNII-26A08O86E6 component LTUMRKDLVGQMJU-IUBLYSDUSA-N; (E,E)-farnesylacetone; CHEMBL486207; TRIMETHYLPENTADECATRIEN-2-ONE; MCULE-4966055907; I14-113745; Famesyl acetone; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #; e,e-farnesylacetone; (E, E)- farnesyl acetone; Famesyl acetone |
C18H30O |
262.4 g/mol |
CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
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 |
|
TCMBANKIN058970 |
elaterin |
|
C32H44O8 |
|
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O |
|
TCMBANKIN058971 |
cucurbitacin b |
Cucurbitacin; Cucurbitacine (B); acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; LMST01010104; NSC144154; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; C08794; NSC49451; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Datisca principle B; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; Cucurbitacin B; Datiscn Principle B; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; NCI60_004184; 6199-67-3 |
C32H46O8 |
558.7 |
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O |
|
TCMBANKIN058973 |
O-Acetylcolumbianetin;o-acetyl-columbianetin;columbianetin acetate |
2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; acetic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester; acetic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl acetate; ZINC05166472; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl ethanoate; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] acetate;2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-; COLUMBIANETINACETATE; 2-[(8s)-2-oxo-8,9-dihydro-2h-furo[2,3-h]chromen-8-yl]propan-2-yl acetate; BG00998239; (8S)-columbianetin acetate; AC1L4PDJ; 8077AH; AKOS015896724; AK608209; columbianetin acetate ; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate; 180C656; DTXSID90177755; ZINC5166472; CHEBI:132626; O-Acetylcolumbianetin; ACM23180656; Columbianetin acetate; CTK4F1041; I07-0184; MolPort-020-005-952; SCHEMBL12247775; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; AC1Q6BDX; (8S)-O-acetylcolumbianetin; 2-[(8S)-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-8-YL]PROPAN-2-YL ACETATE; 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate; FT-0624032 |
C16H16O5 |
288.29 g/mol |
CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
|
TCMBANKIN058982 |
Aceteugenol |
Acetyleugenol; (2-methoxy-4-prop-2-enyl-phenyl) ethanoate; 3-06-00-05029 (Beilstein Handbook Reference); 2-Methoxy-4-(2-propen-1-yl)phenyl acetate; Acetyl eugenol; AI3-01780; acetic acid (4-allyl-2-methoxyphenyl) ester; (2-methoxy-4-prop-2-enylphenyl) acetate; BRN 1964745; InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H; 2-Methoxy-4-(2-propenyl)phenyl acetate; NSC1242; 1-Acetoxy-2-methoxy-4-allylbenzene; aceteugenol; WLN: 1VOR BO1 D2U1; Eugenyl acetate; 93-28-7; Phenol, 4-allyl-2-methoxy-, acetate; 1,3,4-Eugenol acetate; 4-Allyl-2-methoxyphenyl acetate; Phenol, 2-methoxy-4-(2-propenyl)-, acetate; W246905_ALDRICH; NSC 1242; FEMA No. 2469; acetic acid (4-allyl-2-methoxy-phenyl) ester; Eugenol acetate; (4-allyl-2-methoxy-phenyl) acetate; 4-Allyl-2-methoxyphenol acetate; EINECS 202-235-6; C14567 |
C12H14O3 |
206.24 |
CC(=O)OC1=C(C=C(C=C1)CC=C)OC |
|
TCMBANKIN058991 |
Fenchylacetat |
Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN059023 |
()-Bornyl acetate |
ZINC00388664; ()-Acetic acid bornyl ester; 45853_FLUKA; endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1CC2CCC1(C2(C)C)C |
|
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 |
|
TCMBANKIN059092 |
Yomogi alcohol |
EINECS 247-474-7; (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol; (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol; 26127-98-0; Yomogi alcohol A; 3,3,6-Trimethyl-1,4-heptadien-6-ol; yomogi alcohol a |
C10H18O |
154.25 |
CC(C)(C=C)C=CC(C)(C)O |
|
TCMBANKIN059099 |
Marmesine;nodakenetin |
(2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (S); C09278; (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; STOCK1N-61085; AIDS071123; ZINC00051923; 495-32-9; marmesine; NSC 340840; AIDS-071123; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-; CCRIS 5728; 1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-; (S)-Marmesin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-; (-)-Marmesin; Nodakenitin; 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R); (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; Nodakenetin;ST4038313; FWYSBEAFFPBAQU-UHFFFAOYSA-N; ( inverted exclamation markA)-Marmesin; MCULE-3188434807; BAS 00015462; 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one; 2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Marmesin; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; SCHEMBL546574; 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Oprea1_172287; AC1LCPS5; AKOS022062475; HMS1672K17; MolPort-001-913-428; 2'-(1''-Hydroxy-1''-methylethyl)-psoralen; STK396315; A1784/0075601; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #; 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one; 13710-70-8; InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (S)-Marmesin; CHEBI:49080; Oprea1_468691; 7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one; Q-100147; ST097606; AKOS000546749; 2-(1-hydroxy-isopropyl)-2,3-dihydrofurano[3,2-g]chromen-7-one |
C14H14O4 |
246.26 |
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O |
|
TCMBANKIN059113 |
Myrcenol;2-methyl-6-methylene-7-octen-2-ol |
2-methyl-6-methylidene-oct-7-en-2-ol; 4-01-00-02280 (Beilstein Handbook Reference); 543-39-5; 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-; 2-methyl-6-methylideneoct-7-en-2-ol; BRN 1744474; 2-Methyl-6-methylene-7-octen-2-ol; EINECS 208-843-8; 2-Methyl-6-methyleneoct-7-en-2-ol; 3-Methylene-7-methyl-1-octen-7-ol; myrcenol; 2-methyl-6-methylene-oct-7-en-2-ol |
C10H18O |
154.25 |
CC(C)(CCCC(=C)C=C)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 |
|
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 |
|
TCMBANKIN059172 |
81827-74-9 |
(3bR,9bS)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[3,4-e]isobenzofuran-1-one; Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-; (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[4,3-g][2]benzoxol-1-one;AC1NSZ34; 9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one;neotriptophenolide |
C21H26O4 |
342.43 |
CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)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 |
|
TCMBANKIN059185 |
(1R,3aS,8aR)-7-isopropyl-1-methyl-4-methylene-2,3,3a,5,6,8a-hexahydroazulen-1-ol |
lactifloreol; (1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol; alismol |
C15H24O |
220.35 g/mol |
CC(C)C1=CC2C(CCC2(C)O)C(=C)CC1 |
|
TCMBANKIN059188 |
beta-Terpinene |
1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) |
C10H16 |
136.23 |
CC(C)C1=CCC(=C)CC1 |
|
TCMBANKIN059190 |
β-terpineol |
beta-terpineol; β- terpineol; Z-beta-terpineol; β-Terpineol; cis-beta-Terpineol; cis-belta-Terpineol; 1-Terpineol;1-terpineol |
C10H18O |
154.25 |
CC(C)C1=CCC(CC1)(C)O |
|
TCMBANKIN059207 |
Epishyobunone |
epishyobunone; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; (2R,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (2R,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone
(2S,3S,6S)-3-ETHENYL-6-ISOPROPYL-3-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; MolPort-035-706-214; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-yl-cyclohexan-1-one; (+)-Shyobunone; CHEMBL1814552; BG00930849; W2226; (2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-1-cyclohexanone; AKOS032962114; SHYOBUNONE; CHEBI:68148; 21698-44-2; shyobunone; AC1NT0E3; (2S,3S,6S)-2-isopropenyl-6-isopropyl-3-methyl-3-vinyl-cyclohexan-1-one; ZINC15150042;Shyobunone |
C15H24O |
220.35 |
CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C |
|
TCMBANKIN059208 |
trans-p-2-Menthen-1-ol |
(1S,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; trans-p-2-menthen-1-ol; (1S,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1S,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol;2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-; (1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; EINECS 249-859-5; trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; 29803-81-4; (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 117064-02-5;trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC(C)C1CCC(C=C1)(C)O |
|
TCMBANKIN059217 |
beta-Bourbonene |
(-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene |
C15H24 |
204.35 |
CC(C)C1CCC2(C1C3C2CCC3=C)C |
|
TCMBANKIN059267 |
Apple oil |
Isopentyl alcohol, isovalerate; AI3-06045; Solusterol; Isopentyl 3-methylbutyrate; Isopentyl isovalerate; NSC6565; FEMA No. 2085; C12289; CCRIS 1348; 3-methylbutyric acid isoamyl ester; Isoamyl isovalerianate; Isoamyl valerianate; Isovaleric acid, isopentyl ester; Isopentyl 3-methylbutanoate; Isoamyl 3-methylbutyrate; WLN: 1Y1&2OV1Y1&1; Isoamyl isopentanoate; 659-70-1; Isoamyl isovalerate; Isoamyl 3-methylbutanoate; W208507_ALDRICH; 3-Methylbutyl 3-methylbutyrate; 3-Methylbutyl 3-methylbutanoate; Butanoic acid, 3-methyl-, 3-methylbutyl ester; NSC 6565; Isopentyl isopentanoate; Isoamyl isovalerate (natural); W208515_ALDRICH; Apple essence; BRN 1753884; 3-Methylbutyl isovalerate; 3-methylbutanoic acid isopentyl ester; iso-Amyl isovalerate; LS-2395; EINECS 211-536-1; 4-02-00-00899 (Beilstein Handbook Reference); 3-methylbutyl isovalerate; 3- methylbutylisov alerate |
C10H20O2 |
172.26 g/mol |
CC(C)CCOC(=O)CC(C)C |
|
TCMBANKIN059272 |
diisobutyl phthalate |
di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC |
C16H22O4- C6H4[CO2CH2CH(CH3)2]2 |
278.34 g/mol |
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
|
TCMBANKIN059364 |
Lilac alcohol A |
lilac alcohol |
C10H18O2 |
170.25 g/mol |
CC(CO)C1CCC(O1)(C)C=C |
|
TCMBANKIN059426 |
(E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one |
|
C13H18O |
190.28 g/mol |
CC=CC(=O)C1=C(C=CCC1(C)C)C |
|
TCMBANKIN059427 |
beta-damascone |
|
C13H20O |
192.3 g/mol |
CC=CC(=O)C1=C(CCCC1(C)C)C |
|
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 |
|
TCMBANKIN059449 |
Izosafrol |
|
C10H10O2 |
162.19 |
CC=CC1=CC2=C(C=C1)OCO2 |
|
TCMBANKIN059502 |
1H-Cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4aalpha,7beta,7abeta,7balpha))- |
|
C15H24O |
220.35 |
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C |
|
TCMBANKIN059505 |
evodin |
|
C26H30O8 |
470.5 g/mol |
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C |
|
TCMBANKIN059521 |
B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
|
TCMBANKIN059524 |
(1S,4R)-fenchone |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC(C2)(C1=O)C)C |
|
TCMBANKIN059530 |
2,3-dehydro-1,8-cineole |
|
C10H16O |
152.23 |
CC1(C2CCC(O1)(C=C2)C)C |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059532 |
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC1(C(=O)C2)C)C |
|
TCMBANKIN059557 |
triacetonamine |
|
C9H17NO |
155.24 g/mol |
CC1(CC(=O)CC(N1)(C)C)C |
|
TCMBANKIN059571 |
ZINC05224268 |
|
C15H24 |
204.35 |
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C |
|
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 |
|
TCMBANKIN059753 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
|
TCMBANKIN059758 |
triptinin a |
|
C21H28O3 |
328.45 g/mol |
CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O |
|
TCMBANKIN059760 |
Elsholtziaketone |
|
C10H14O2 |
166.22 |
CC1=C(OC=C1)C(=O)CC(C)C |
|
TCMBANKIN059769 |
9beta-hydroxyfraxinellone;6beta-hydroxyfraxinellone;dasycarpol |
|
C14H16O4 |
248.27 g/mol |
CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3 |
|
TCMBANKIN059810 |
delta-selinene |
|
C15H24 |
204.35 g/mol |
CC1=C2C=C(CCC2(CCC1)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 |
|
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 |
|
TCMBANKIN059911 |
cuparene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C2(CCCC2(C)C)C |
|
TCMBANKIN059916 |
2,6,6-trimethyl-2,4-cycloheptadien-1-one |
|
C10H14O |
150.22 |
CC1=CC=CC(CC1=O)(C)C |
|
TCMBANKIN059949 |
Lacinilene-C-7-methyl ether |
|
C16H20O3 |
260.33 |
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O |
|
TCMBANKIN059964 |
α-cadinol |
|
C15H26O |
222.37g/mol |
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C |
|
TCMBANKIN059975 |
β-humulene |
|
C15H24 |
204.35 |
CC1=CCC(C=CCC(=C)CCC1)(C)C |
|
TCMBANKIN059982 |
d-limonene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(CC1)C(=C)C |
|
TCMBANKIN059985 |
alpha-terpinol |
|
C10H18O |
154.25 g/mol |
CC1=CCC(CC1)C(C)(C)O |
|
TCMBANKIN059994 |
(+)-trans-Carveol |
|
C10H16O |
152.23 g/mol |
CC1=CCC(CC1O)C(=C)C |
|
TCMBANKIN059995 |
l-Carvyl acetate |
|
C12H18O2 |
194.27 |
CC1=CCC(CC1OC(=O)C)C(=C)C |
|
TCMBANKIN059999 |
beta-Chamigrene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CC1)C(=C)CCCC2(C)C |
|
TCMBANKIN060000 |
carotol |
|
C15H26O |
222.37 |
CC1=CCC2(CCC(C2(CC1)O)C(C)C)C |
|
TCMBANKIN060001 |
thujopsene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2(CCCC(C23C1C3)(C)C)C |
|
TCMBANKIN060004 |
cadinene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
|
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
|
C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
|
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
|
TCMBANKIN060036 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN060055 |
3β-hydroxyatractylone |
|
C15H20O2 |
232.32 g/mol |
CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)O |
|
TCMBANKIN060056 |
atractylone;atractylon |
|
C15H20O |
216.32 |
CC1=COC2=C1CC3C(=C)CCCC3(C2)C |
|
TCMBANKIN060086 |
gibberellin a 60;GA60 |
|
C19H24O6 |
348.39 |
CC12CCC(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
|
TCMBANKIN060305 |
muscarine(i); muscarine(ii) |
|
C9H20NO2+ |
174.26 g/mol |
CC1C(CC(O1)C[N+](C)(C)C)O |
|
TCMBANKIN060307 |
cascarillin c |
|
C22H30O5 |
374.5 g/mol |
CC1C(CC2(C(C13CC(OC3O)C4=COC=C4)CCC=C2C)C)OC(=O)C |
|
TCMBANKIN060325 |
kadsurenone |
|
C21H24O5 |
356.4 g/mol |
CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
|
TCMBANKIN060327 |
vellerdiol |
|
C15H24O2 |
236.35 g/mol |
CC1C=C(C(=CC2C1CC(C2)(C)C)CO)CO |
|
TCMBANKIN060346 |
grosshemin |
|
C15H18O4 |
262.3 g/mol |
CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O |
|
TCMBANKIN060361 |
yuanhunine |
|
C21H25NO4 |
355.4 g/mol |
CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)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 |
|
TCMBANKIN060433 |
gmelofuran;gmeloiuran |
|
C15H18O3 |
246.3 g/mol |
CC1CC2C(CC(=O)C3=COC(=C23)C1=O)C(C)C |
|
TCMBANKIN060440 |
pulegone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN060450 |
d-menthone |
|
C10H18O |
154.25 g/mol |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN060452 |
()-Neomenthol;(1R,2R,5S)-2-Isopropyl-5-methylcyclohexanol |
|
C10H20O |
156.27 |
CC1CCC(C(C1)O)C(C)C |
|
TCMBANKIN060453 |
α-acoradiene;Acoradiene |
|
C15H24 |
204.35 |
CC1CCC(C12CCC(=CC2)C)C(=C)C |
|
TCMBANKIN060458 |
cubenol |
|
C15H26O |
222.37 |
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C |
|
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
|
TCMBANKIN060462 |
(1S,2R,4R)-Neoiso-dihydrocarveol |
|
C10H18O |
154.25g/mol |
CC1CCC(CC1O)C(=C)C |
|
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060569 |
patchoulane |
|
C15H26 |
206.37 |
CC1CCC23C1CC(C2(C)C)CCC3C |
|
TCMBANKIN060575 |
alpha-gurjunene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C(C2(C)C)C3=C(CCC13)C |
|
TCMBANKIN060581 |
sinpemine A |
|
C27H43NO2 |
413.64 g/mol |
CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)C |
|
TCMBANKIN060585 |
α-funebrene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C13CC=C(C(C3)C2(C)C)C |
|
TCMBANKIN060586 |
Cedren-13-ol, 8-;cedr-8-en-13-ol |
|
C15H24O |
220.35 |
CC1CCC2C13CC=C(C(C3)C2(C)CO)C |
|
TCMBANKIN060587 |
Epicedrol |
|
C15H26O |
222.37 g/mol |
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
|
TCMBANKIN060589 |
Dihydronepetalactone |
|
C10H16O2 |
168.23 g/mol |
CC1CCC2C1C(=O)OCC2C |
|
TCMBANKIN060593 |
()-Aromadendrene;(+)-aromadendrene |
|
C15H24 |
204.35 |
CC1CCC2C1C3C(C3(C)C)CCC2=C |
|
TCMBANKIN060595 |
(-)-Isorotundene |
|
C15H24 |
204.35 g/mol |
CC1CCC2C1CC3CCC2(CC3=C)C |
|
TCMBANKIN060602 |
Dihydro-β-agarofuran |
|
C15H26O |
222.37 |
CC1CCCC2(C13CC(CC2)C(O3)(C)C)C |
|
TCMBANKIN060603 |
1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one |
|
C15H22O |
218.37 |
CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
|
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 |
|
TCMBANKIN060731 |
4-ethylguaiacol |
|
C9H12O2 |
152.19 g/mol |
CCC1=CC(=C(C=C1)O)OC |
|
TCMBANKIN060741 |
ethylpyrazine |
|
C6H8N2 |
108.14 g/mol |
CCC1=NC=CN=C1 |
|
TCMBANKIN060750 |
neotuberostemonol |
|
C22H31NO5 |
389.49 |
CCC1C2C(C(C(=O)O2)C)C3(CC(N4C3=C1CCCC4)C5CC(C(=O)O5)C)O |
|
TCMBANKIN060751 |
bisdehydroneotuberostemonine |
|
C22H29NO4 |
371.5 g/mol |
CCC1C2CCCCN3C2=C(C=C3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN060752 |
stenine |
|
C17H27NO2 |
277.4 g/mol |
CCC1C2CCCCN3C2C(CC3)C4C1OC(=O)C4C |
|
TCMBANKIN060753 |
tuberostemonine J |
|
|
389.59 |
CCC1C2CCCCN3C2C(CC3C4CC(C(=O)O4)C)C5C1OC(=O)C5C |
|
TCMBANKIN060780 |
7-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 |
|
TCMBANKIN060783 |
(z)-5-hydroxy-3-butylidene-phthalide |
|
C12H12O3 |
204.22 g/mol |
CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1 |
|
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 |
|
TCMBANKIN060802 |
2-(1-oxopentyl)-benzoicacid methyl ester |
|
C13H16O3 |
220.26 g/mol |
CCCCC(=O)C1=CC=CC=C1C(=O)OC |
|
TCMBANKIN060874 |
Ligla; gamma-linolenic acid |
|
C18H30O2 |
278.43 |
CCCCCC=CCC=CCC=CCCCCC(=O)O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN061133 |
HEXACOSANE |
|
C26H54 |
366.71 |
CCCCCCCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN061205 |
WLN: 4OVR |
|
C11H14O2 |
178.23 g/mol |
CCCCOC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061269 |
2,2,2-triethoxyethanol |
|
C8H18O4 |
178.23 g/mol |
CCOC(CO)(OCC)OCC |
|
TCMBANKIN061284 |
TETRAMETHYLSUCCINAMIDE |
|
C8H16N2O2 |
172.22 g/mol |
CN(C)C(=O)CCC(=O)N(C)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 |
|
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 |
|
TCMBANKIN061321 |
n-methyl-corypalline |
|
C12H17NO2 |
207.27 g/mol |
CN1CCC2=CC(=C(C=C2C1)OC)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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
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 |
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TCMBANKIN061889 |
16-Hydroxycolubrine (beta) |
16-hydroxycolubrine(beta) |
C22H24N2O4 |
380.48 |
COC1=CC2=C(C=C1)N3C4C25CCN6C5(CC7C4C(CC3=O)OCC=C7C6)O |
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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