Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008131 |
ID: | TCMBANKHE008131 |
植物拉丁名: |
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功能与主治: | To remove toxic heat, and to relieve the depressed liver and alleviate pain./Icterohepatitis, stomachache, wind-damp bone pain, stasis pain from knocks and falls, mammary welling abscess. |
药用植物名: | 鸡骨草 |
药用部位: | whole herb |
药味: | Cool; Sweet; Slightly Bitter |
经络: | Stomach; Liver |
治疗类型: | 利水渗湿药 |
TCM_ID_id: | 5658 |
SymMap_id: | 191 |
TCMSP_id: | 378 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000891 | 3-O-β-abritetraosyl soyasapogenol B | C36H57O9- | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)[O-])O)O)O)C)C | ||
| TCMBANKIN001297 | Abrusoside A_qt | 498.77 | |||
| TCMBANKIN001558 | Abrisapogenol E | abrisapogenol e | C30H50O4 | 474.7 g/mol | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)(C)CO)O |
| TCMBANKIN004645 | Abrisapogenol B | abrisapogenol b | C30H50O4 | 474.7 g/mol | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)(C)CO)O |
| TCMBANKIN004700 | σ-Muurolol | ||||
| TCMBANKIN004768 | 3-O-β-abritetraosyl sophoradiol abrisapogenol D | ||||
| TCMBANKIN005690 | Hxanal | ||||
| TCMBANKIN005768 | ganodepurine | CC(=O)CC(C)(C)N1C=NC2=C1N=CN=C2N | |||
| TCMBANKIN005816 | 3-O-α-L-rhaMnopyranosyl-(1→2)-[0-β-D-glucopyranoside-((1→3)]-β-D-Galactopyranosyl-(1→2)-β-D-glucuronopyranosyl sophoradiol | ||||
| TCMBANKIN006672 | arnicolide C | arnicolide c | C19H26O5 | 334.41 | CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(C)C |
| TCMBANKIN006871 | Borneoll | C13H22O3 | CC(C(=O)OC1CC2CCC1(C2(C)C)C)O | ||
| TCMBANKIN006930 | β-guaiene | beta-guaiene; (+)-β-Guaiene | C15H24 | 204.35 | CC1CCC(=C(C)C)CC2=C1CCC2C |
| TCMBANKIN007751 | Bicyclo[3.1.1]heptan-3-one | C7H10O | 110.15 g/mol | C1C2CC1CC(=O)C2 | |
| TCMBANKIN008262 | (4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-methylol-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one | (4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one | C48H76O18 | 941.11 | |
| TCMBANKIN008794 | abrisaponin | C48H78O18 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | ||
| TCMBANKIN009048 | kudzusapogenol | C30H48O6 | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(C(C5O)O)(C)C(=O)O)C)C)C)(C)CO)O | ||
| TCMBANKIN009366 | Abrusoside A | CHEBI:2364; CJHYXUPCGHKJOO-AYOTXDKCSA-N; 124962-06-7; LMST01100009; abrusoside a; Abrusogenin 3-O-glucopyranoside; CHEMBL471718; (22S,24Z)-3beta-(beta-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid | C36H54O10 | 646.8 g/mol | CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C |
| TCMBANKIN009488 | pinocarvone | C10H14O | 150.22 | CC1(C2CC1C(=C)C(=O)C2)C | |
| TCMBANKIN009570 | Germacerene-D | ||||
| TCMBANKIN009681 | 3-O-β-abritetraosyl abrisapogenol F | ||||
| TCMBANKIN010836 | 1H-Cycloprop[e]azulene | C11H8 | 140.18 g/mol | C1C2=CC=CC3=CC=CC3=C21 | |
| TCMBANKIN012381 | plenolin | (1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[7,6-d]furan-2,8-dione; 34257-95-9; C09531; (1S,3aR,5R,5aR,8aR,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione; Plenolin; AC1O3DU3; (1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[7,6-d]furan-2,8-quinone | C15H20O4 | 264.32 g/mol | CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)O |
| TCMBANKIN014012 | 3-O-β-abritetraosyl sophoradiol 22-O-β-D-xylopyranoside | ||||
| TCMBANKIN014153 | butylobetaine | ||||
| TCMBANKIN014399 | Eremophilene | eremophilene | C15H24 | 204.35 | CC1CCC=C2C1(CC(CC2)C(=C)C)C |
| TCMBANKIN014734 | Camellia sinensis | ||||
| TCMBANKIN014773 | 1, 7, 7-Trimethylbicyclo[2.2.1]hept-5-en-2-ol | C10H16O | 152.23 g/mol | CC1(C2CC(C1(C=C2)C)O)C | |
| TCMBANKIN017335 | 7, 3′,4′-Trihydroxy flavanone | ||||
| TCMBANKIN017477 | Bicyclo[3.1.1]heptan-2-one | C7H10O | 110.15 g/mol | C1CC(=O)C2CC1C2 | |
| TCMBANKIN017659 | 3-O-β-abritetraosyl sophoradiol abrisapogenol D 22- O-β-D-glucopyranoside | ||||
| TCMBANKIN017660 | Abrisapogenol G | abrisapogenol g; 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol; AC1NSTBT | C30H50O2 | 442.72 | CC1(CC(C2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)O)C |
| TCMBANKIN019028 | γ-gurjunene | γ-Gurjunene | C15H24 | 204.35 | |
| TCMBANKIN019104 | Abrisapogenol F | 10-hydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one; AC1NST7F; abrisapogenol f | C30H48O2 | 440.7 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)C)O)C)C |
| TCMBANKIN019356 | Bicyclo[3.1.1]heptan-3-ol | C7H12O | 112.17 g/mol | C1C2CC1CC(C2)O | |
| TCMBANKIN019575 | Soyasaponin V | soyasaponin v | C48H78O19 | 959.12 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
| TCMBANKIN020246 | (3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol | C30H50O2 | 442.72 | ||
| TCMBANKIN020363 | (3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-2,2,4a,6a,6b,9,12a-heptamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol | (3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol | C30H50O4 | 474.72 | |
| TCMBANKIN020546 | Abrisapogenol D | abrisapogenol d | C30H50O3 | 458.72 | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)C |
| TCMBANKIN020691 | β-Pinene oxide | β-pineneoxide | C10H16O | CC1(C2CCC3(C1C2)CO3)C | |
| TCMBANKIN021284 | alpha-D-glucuronic acid | (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; alpha-D-glucopyranuronic acid; CHEBI:42717; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid | C48H74O20 | 971.09 | C1(C(C(OC(C1O)O)C(=O)O)O)O |
| TCMBANKIN021462 | Abrisapogenol C | abrisapogenol c; butane; ethane; methane; tetrahydrate; AC1NT0I6 | C30H50O4 | 474.72 | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(C(C5O)O)(C)CO)C)C)C)C |
| TCMBANKIN021528 | soyasapogenol b | Soyasapogenol B; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; SMR001397335; C08980; 595-15-3; Olean-12-ene-3,22,23-triol, (3beta,4beta,22beta)-; NCGC00247505-01; HMS2267D19; MLS002473248; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; CHEMBL153969 | C30H50O3 | 458.72 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C |
| TCMBANKIN021635 | 3-Cyclopentene-1-acetaldehyde, 2, 2, 3-trimethy | ||||
| TCMBANKIN022281 | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid | C48H78O18 | 943.12 | |
| TCMBANKIN022342 | omphalin | CC1=CC(=C(C(=C1)C)NC=C2C=CC(=O)C(=C2)O)C | |||
| TCMBANKIN022597 | Selina-6-en-4-ol | C15H26O | 222.37 g/mol | CC(C)C1=CC2C(CCCC2(C)O)(CC1)C | |
| TCMBANKIN024722 | Abrisapogenol A | AC1NSSNX; abrisapogenolA; abrisapogenol a; 11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol | C30H50O3 | 458.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)C |
| TCMBANKIN026625 | soyasaponins I | ||||
| TCMBANKIN026807 | alpha-ylangene | alpha-Ylangene; α-ylangene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C |
| TCMBANKIN029030 | Soyasaponin V_qt | C48H78O19 | 959.12 | ||
| TCMBANKIN029134 | kaikasaponinIII | 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]oxane-2-carboxylic acid; AC1Q5V6O; AC1L4MPD; Kaikasaponin III; 22-hydroxyolean-12-en-3-yl 6-deoxyhexopyranosyl-(1-; 115330-90-0; kaikasaponin iii; kaikasaponin III; SCHEMBL14708535 | C48H78O17 | 927.12 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| TCMBANKIN029162 | 18beta-glycyrrhetinic acid | AJ-72559; Rhetinic Acid; C02283; GLYCYRRHETINIC ACID; 18-beta-Glycyrrhetinic acid; 1449-05-4; Glycyrrhetic acid; Hidermart; CHEMBL230006; SMR000058239; SR-01000721867-5; NCGC00142473-03; 18beta-Glycyrrhetinic acid, purum, >=97.0% (T); UNII-P540XA09DR; Enoxolone (Glycyrrhetin); 107420-91-7; Enoxolone, Glycyrrhetinic acid; CCRIS 3962; LMPR0106150014; 18beta-Glycyrrhetic acid; 4-10-00-03775 (Beilstein Handbook Reference); BB_NC-0599; HMS2233P23; LS-7417; (3?)-3-Hydroxy-11-oxoolean-12-en-30-oic acid; Opera_ID_1048; D0U8IF; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; NSC-35350; Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (8CI); AC-1925; Glycyrrhetinic acid; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; HY-N0180; Arthrodont; Hidermart (TN); DTXSID9020669; SR-01000721867-3; MLS002207101; Enoxolona; Glycyrrhetinic acid (JAN); A-Hydroxy-11-oxoolean-12-en-30-olic acid; SR-01000721867-6; Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-; (3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid; subglycyrrhelinic acid; SCHEMBL18540; 471-53-4; Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-; BG01168029; FT-0082445; BX-1; Glycyrrhetin; D00156; NCGC00017244-03; 202522-39-2; 18-beta-Glycyrrhetic acid; SR-01000721867-4; Enoxolonum [INN-Latin]; SBB006496; GM-1658; Q-201057; NSC-35347; NSC 35347; (5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-11-ene-8-carboxylic acid; alpha-Glycyrrhetinic acid; Tox21_112726; 130100-EP2295411A1; ZINC19203131; Biosone; D08LGJ; Bio-0549; Enoxolone; 18beta-Glycyrrhetinic acid; 3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid; Enoxolone (Glycyrrhetinic acid); 50510_FLUKA; BDBM50233538; Uralenic acid; NCGC00017244-04; P540XA09DR; 18beta-glycyrrhetic acid; C30H46O4; Jintan; Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo-; CAS-471-53-4; Tox21_200799; SR-01000721867; Enoxolone (INN); MLS001146949; MLS000028748; [(125)I] RB129; G10105_ALDRICH; (3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid; s2296; CCG-208506; 8055-71-8; EINECS 207-444-6; (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid; Enoxolona [INN-Spanish]; GlycyrrhetinicAcid; 18b-Glycyrrhetic acid; AC1L1UIT; 130100-EP2269977A2; KS-1262; Glycyrrhetinate; Glycyrrhetinic acid [JAN]; (3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid; BC201656; Enoloxone; Enoxolone [INN:BAN:DCF]; 18 beta-glycyrrhetinic acid; 3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid; enoxolone; DSSTox_RID_75722; 18 beta-Glycyrrhetintic Acid; DSSTox_CID_669; 3-Glycyrrhetinic acid; 3beta-hydroxy-11-oxoolean-12-en-29-oic acid; NCGC00181115-01; Enoxolone; STX-352; AKOS016036757; 15301-63-0; G0149; MFCD00003706; ST24038257; Enoxolone, European Pharmacopoeia (EP) Reference Standard; ST056310; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; AKOS015960428; 471G534; NCGC00258353-01; DB13089; Tox21_110804; CBW; DSSTox_GSID_20669; D0F6IV; MolPort-002-507-130; A827163; (3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid; 18beta-Glycyrrhetinic acid, 97%; CHEBI:30853; AC-8906; AN-14462; API0002854; BRN 2229654; Glyciram; 18beta-Glycyrrhetinic acid; MCULE-4676598997; 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid; 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid; BG00824432; Enoxolone [BAN:DCF:INN]; CS-W020624; S00284; Enoxolonum; 299198-00-8 | C30H46O4 | 470.68 | CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| TCMBANKIN029546 | abrisaponin So1 | C54H88O22 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O | ||
| TCMBANKIN029904 | N,N,N-Trihydroxy Tryptophan | ||||
| TCMBANKIN030021 | Bicyclogemacrene | ||||
| TCMBANKIN030416 | δ-Carpyophyllene | ||||
| TCMBANKIN031109 | soyasapogenol A | soyasapogenol a | C30H50O4 | 474.72 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C |
| TCMBANKIN031306 | kainic acid | alpha- Kainic acid; K0250_SIGMA; Kainic acid monohydrate; (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate; SCHEMBL6081964; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; UPCMLD-DP146:001; D02546; Kainic acid hydrate; C12819; I519JC63XY; MLS001074661; NCGC00024504-05; 4-22-00-01523 (Beilstein Handbook Reference); rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; NSC136038; EU-0100656; (2S,3S,4R)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; NCGC00024504-03; Kainic acid [INN:JAN]; DTXSID50206732; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate, (2S-(2alpha,3beta,4beta))-; KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE; (-)-Kainic acid hydrate; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-2-pyrrolidinecarboxylic acid; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; SC-66129; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454-9; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid; BRN 0086660; NSC 136038; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; Lopac0_000656; Acide kainique [INN-French]; MolPort-009-018-775; 58002-62-3; L-alpha-Kainic acid; Kainic acid monohydrate, >=98% (HPLC), from Digenea simplex; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-; nchembio881-comp3; Digenin; HMS3649I10; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); Digenic acid; NCGC00024504-06; UPCMLD-DP146:002; Acido kainico [INN-Spanish]; BPBio1_001306; C10H15NO4.H2O; Kainic acid hydrate [JAN]; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline; 487-79-6; Kainic acid monohydrate, >=99% (TLC); (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid; 1810AH; Kainate; SMR000471885; Kainic Acid, Natural; UNII-I519JC63XY; 2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; Acidum kainicum [INN-Latin]; Kainic acid hydrate (JP17); 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; KAINIC ACID; Digenin (TN); (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; Helminal; Biomol-NT_000217 | C10H15NO4 | 213.23 | CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
| TCMBANKIN032278 | 2-Pentanoyl furan | C9H12O2 | 152.19 g/mol | CCCCC(=O)C1=CC=CO1 | |
| TCMBANKIN033223 | Iso-Cvaleric acid | ||||
| TCMBANKIN034868 | kaikasaponin III_qt | kaikasaponinIII_qt | C48H78O17 | 927.12 | |
| TCMBANKIN034874 | Bicyclo[3.1.1]hept-3-en-2-ol | C7H10O | 110.15 g/mol | C1C2CC1C(C=C2)O | |
| TCMBANKIN035952 | Neoisolongifolene | C15H24O | CC1(CCC(C23C1=CC(C2(C)C)CC3)O)C | ||
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN036867 | glycyrrhetinic acid | beta-Glycyrrhetic acid; glycyrrhetinicacid; 3-hydroxy-11-oxoolean-12-en-29-oate; (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; LT00233150; Glycyrrhetic acid; Glycyrrhetinic; 3b-hydroxy-11-oxo-Olean-12-en-30-oic acid; 3-hydroxy-11-oxoolean-12-en-29-oic acid (ACD/Name 4.0); 18b-Glycyrrhetic acid; Glycyrrhetin; Glycyrrhetinate; 3b-Hydroxy-11-oxoolean-12-en-30-oic acid; 18b-Glycyrrhtinic acid; Biosone; 3b-Hydroxy-11-oxoolean-12-en-30-oate; 3-Glycyrrhetinic acid; SCHEMBL13144257; 18b-Glycyrrhetinic acid; NCGC00186652-01; 3b-hydroxy-11-oxo-Olean-12-en-30-oate; b-glycyrrhetic acid; (2S,4AS,6AS,6BR,10S,12AS)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,7,8,8A,10,11,12,12B,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLIC ACID; a-glycyrrhetinic acid | C30H46O4 | 470.68 | CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| TCMBANKIN036961 | arnidiol | AC1NSZ7F; arnidiol ; (3S,6aR,6aR,8aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol | C30H50O2 | 442.72 | CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1=C)C)O)C)C)(C)C)O)C |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[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] |
| 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] |
| TCMBANKIN037885 | kudzusapogenol A | kudzusapogenol a | C30H50O5 | 490.71 | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(C(C5O)O)(C)CO)C)C)C)(C)CO)O |
| TCMBANKIN038671 | γ-Cadinene | γ- Cadinene; γ-Cadinene; γ- cadinene | 204.35 | ||
| TCMBANKIN038840 | Calamenene | calamenene ; calamenene | C15H22 | 202.33 g/mol | CC1CCC(C2=C1C=CC(=C2)C)C(C)C |
| TCMBANKIN041021 | abrisaponin i | C48H74O20 | 971.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN041140 | Biflorin | 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 89701-85-9; C08996; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; biflorin; 6beta-C-Glucopyranosyl-5,7-dihydroxy-2-methylchromone; 5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone | C16H18O9 | 354.309 | c1([C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(O[H])c(C(=O)C([H])=C(C([H])([H])[H])O3)c3c([H])c1O[H] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN042399 | Sophoradiol | 442.72 | |||
| TCMBANKIN044727 | salicylic acid | 3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 | C7H6O3 | 138.12 | C1=CC=C(C(=C1)C(=O)O)[O-] |
| TCMBANKIN046128 | glabrolide | C30H44O4 | 468.67 | CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC6(CC5OC6=O)C)C)C)C)C | |
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN048506 | β-Maaliene | [1aR-(1a.alpha.,3a.alpha.,7b.alpha.)]-1a,2,3,3a,4,5,6,7b- octahydro-1,1,3a,7-tetramethyl-1H-Cyclopropa[a]-naphthalene[1aR.(1a.alpha.,3a.alpha.,7ba)]; beta-maaliene; BETA-MAALIENE | 204.35 | ||
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| 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 |
| TCMBANKIN058304 | 2',4 '-dihydroxychalcone | 1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one; 25515-43-9; ST5308968; NSC401492; SPECTRUM1505132; NCGC00096022-01; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-; 1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one; (E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one; (E)-1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-; CHALCONE, 2',4'-DIHYDROXY- | C15H12O3 | 240.25 g/mol | C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O |
| TCMBANKIN058411 | napthalene | Caswell No. 587; Naphthalene (molten); 91-20-3; NPY; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione; WEDGVCZUPFZNDE-UHFFFAOYSA-N; WLN: L66J; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione #; Naphthene; 48641_SUPELCO; 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione; 13,13-DIMETHYL-4,14-DIOXATRICYCLO[8.4.0.0(3),?]TETRADECA-1,3(8),6,9-TETRAENE-5,11-DIONE; DTXSID10167830; NAPHTHALENE; HSDB 184; InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H; nchembio791-comp1; Albocarbon; CHEBI:16482; NCI-C52904; 84679_FLUKA; NCGC00090793-01; Naftalen [Polish]; Naphthalene-UL-14C; Di(C5-C6)alkylnaphthalene; Naphthalene, di-C5-6-alkyl derivs.; Dezodorator; CCRIS 1838; NSC 37565; Naphtalene [ISO:French]; White tar; InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8; 8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione; c0333; N3145_SIGMA; AI3-00278; 2,2-dimethyl-3H-pyrano[5,6-g]chromene-4,8-quinone; Moth balls; Naphthalene solution; NCGC00090793-02; NSC37565; Mighty RD1; Camphor tar; Mothballs; 16499-05-1; 40053_SUPELCO; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2,6-dione; Naphthaline; Naphthalene, crude or refined; Tar camphor; UN1334; Naphthalene, molten; 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-; EINECS 202-049-5; Moth flakes; RCRA waste no. U165; Graveolone; NAPHTHALENE-RING; 48546_SUPELCO; AC1L42XS; Naphthalene, crude or refined [UN1334] [Flammable solid]; EPA Pesticide Chemical Code 055801; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione; UN2304; 147141_ALDRICH; Naphthalene [BSI:ISO]; RCRA waste number U165; Naphthalene, molten [UN2304] [Flammable solid]; Naftalen; CTK8H1786; 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione; NAPHTHYL GROUP; C00829; naphtalene; Mighty 150; 72931-45-4; 8,8-DIMETHYL-7H-PYRANO[3,2-G]CHROMENE-2,6-DIONE; N7394_SIGMA; Naphthalin; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione; 184500_ALDRICH; Naphthalene, pure; 68412-25-9 | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=CC2=C1 |
| TCMBANKIN058436 | 2, 4-dihydroxy pyrimidine | NSC3970; C00106; 16908-84-2; U3879_SIGMA; 2,4-Pyrimidinediol; 2-hydroxy-4(3H)-pyrimidinone; 66-22-8; Pirod; 144104-68-7; SQ 7726; Uracil-2-14C; 2,4-Pyrimidinedione; 4433-21-0; D00027; 24897-50-5; U0750_SIGMA; AI3-25470; 766-19-8; U1128_SIGMA; SQ 8493; ST5165192; SQ 6201; 2-hydroxy-4(1H)-pyrimidinone; 2,4-Dioxopyrimidine; 1H-pyrimidine-2,4-dione; Urazil; Pyrod; EINECS 200-621-9; Hybar X; Uracil (JAN/USAN); CHEBI:17568; 6-(3,5-Dimethylbenzyl)-5-ethyl-1-[4-(13-ethyl-17-hydroxy-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylethynyl)benzyloxymethyl]uracil; Uracil-5-d; NCIMech_000782; AC-907/30002021; 2,4-Dihydroxypyrimidine; 42910-77-0; NSC 3970; NSC29742; ZINC00895045; STK301734; AIDS009895; Uracil (8CI); URACIL; Uracil [USAN]; 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione; pyrimidine-2,4(1H,3H)-dione; 4433-24-3; 2,4-(1H,3H)-pyrimidinedione (9CI); CCRIS 3077; RU 12709; Ura; 2,4(1H,3H)-Pyrimidinedione; BMS 205603-01; InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8; 2,4(1H,3H)-Pyrimidinedione (9CI); NCI60_003718; 4-hydroxy-2(1H)-pyrimidinone; 2,4(1H,3H)-Pyrimidinedione, labeled with tritium; AIDS-009895 | C4H4N2O2 | 112.09 g/mol | C1=CNC(=O)NC1=O |
| 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 |
| TCMBANKIN058461 | URC | Uric acid (8CI); U2625_SIGMA; NSC 3975; 7H-purine-2,6,8-triol; AI3-15432; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI); nchembio768-comp1; 1H-Purine-2,6,8-triol; ST5298833; 69-93-2; 34318-07-5; trioxopurine; 42911-25-1; Lithic acid; CHEBI:46814; purine-2,6,8-(1H,3H,9H)-trione; C00366; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 33278-42-1; CHEBI:46811; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; 9H-purine-2,6,8-triol; ZINC00895200; 530-13-2; InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12; uric acid; ST5406901; 2,6,8-trioxypurine; 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine; AIDS023028; 13154-20-6; CHEBI:17775; Purine-2,6,8(1H,3H,9H)-trione; 7,9-dihydro-3H-purine-2,6,8-trione; NSC3975; 42911-28-4; CHEBI:46823; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; AIDS-023028; URATE; 2,6,8-Trioxopurine; 2,6,8-trihydroxypurine; EINECS 200-720-7; 8-hydroxyxanthine; 42911-27-3; U0881_SIGMA; CHEBI:46817 | C5H4N4O3 | 168.11 | C12=C(NC(=O)N1)NC(=O)NC2=O |
| TCMBANKIN058535 | butin | ACon1_000269; MolPort-001-740-173; 4CN-1039; MCULE-9899038190; BRD-A75085792-001-01-8; MEGxp0_000004; AC1MRPVU; 21913-99-5; SCHEMBL5504140; 3',4',7-Trihydroxyflavanone; NCGC00180724-01; NP-000008; 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one; CHEMBL3401430 | C27H30O16 | 610.52 | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN058710 | Anemosapogenin | 3alpha,23-Dihydroxylupa-20(29)-ene-28-oic acid; 23-hydroxybetulinicacid; anemosapogenin | C30H48O4 | 472.7 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)O)C)C(=O)O |
| TCMBANKIN059147 | ergosterin | ergosterol;24-Methylcholesta-5,7,22-trien-3beta-ol; 24alpha-Methyl-22E-dehydrocholestero; (3beta,22E)-Ergosta-5,7,22-trien-3-ol; (7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; 45480_FLUKA; (24R)-Ergosta-5,7,22-trien-3b-ol; MEGxm0_000450; Ergosterin; 24R-Methylcholesta-5,7,22E-trien-3b-ol; 57-87-4; Ergosterol; ergosta-5,7,22E-trien-3beta-ol; (3beta)-Ergosta-5,7,22-trien-3-ol; C01694; 5,7,22-Ergostatrien-3beta-ol; AIDS064232; E6510_SIGMA; Provitamin D2; (22E)-Ergosta-5,7,22-trien-3.beta.-ol; A831651; ergosta-5,7,22-trienol; ergosta-5,7,22-trien-3 beta-ol; 24R-Methylcholesta-5,7,22E-trien-3beta-ol; ACon0_000429; ERG; ST073383; (3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 24-Methylcholesta-5,7,22-trien-3b-ol; ACon1_000637; (3beta,2E)-Ergosta-5,7,22-trien-3-ol; Provitamine D2; AIDS-064232; 24a-Methyl-22E-dehydrocholesterol; ergosta-5,7,22-trien-3-ol; 47130U_SUPELCO; LMST01030093; (22E)-ergosta-5,7,22-trien-3beta-ol; ZINC04084618; (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 3beta-Hydroxy-5,7,22-ergostatriene; CHEBI:16933; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol | C28H44O | 396.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN059170 | alpha-elemene | α- elemene; α--elemene; α-Elemene; α-elemene;(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene; (S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene; 5951-67-7; (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene; (6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene;(6S)-1-isopropyl-3-isopropylidene-6-methyl-6-vinylcyclohexene | C15H24 | 204.35 g/mol | CC(C)C1=CC(=C(C)C)CCC1(C)C=C |
| TCMBANKIN059175 | delta-elemene | delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene | C15H24 | 204.35 | CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C |
| TCMBANKIN059264 | ganoine | ganoine i; ganonine | C11H17NO2 | 195.26 g/mol | CC(C)CCN1C(=CC=C1C=O)CO |
| TCMBANKIN059511 | Benihinal | C10H14O | 150.22 g/mol | CC1(C2CC=C(C1C2)C=O)C | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN059526 | Bicyclo[ 2.2.1] heptan-2-ol, 1, 3, 3-trimethyl | C10H18O | 154.25 g/mol | CC1(C2CCC(C2)(C1O)C)C | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059531 | eucalyptol | C10H18O | 154.25 g/mol | CC1(C2CCC(O1)(CC2)C)C | |
| TCMBANKIN059536 | α-fenchene | C10H16 | 136.23 g/mol | CC1(C2CCC1C(=C)C2)C | |
| TCMBANKIN059811 | guaiazulene | C15H18 | 198.3 g/mol | CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C | |
| TCMBANKIN059836 | thymol | C10H14O | 150.22 | CC1=CC(=C(C=C1)C(C)C)O | |
| TCMBANKIN059858 | 3,5-dimethyl-4-hydroxy-benzaldehyde | C9H10O2 | 150.17 g/mol | CC1=CC(=CC(=C1O)C)C=O | |
| TCMBANKIN059877 | isobiflorin | C16H18O9 | 354.31 g/mol | CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN059928 | emodin | C15H10O5 | 270.24 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O | |
| TCMBANKIN059929 | physcion | C16H12O5 | 284.26 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN059964 | α-cadinol | C15H26O | 222.37g/mol | CC1=CC2C(CCC(C2CC1)(C)O)C(C)C | |
| TCMBANKIN059979 | calacorene | C15H20 | 200.32g/mol | CC1=CCC(C2=C1C=CC(=C2)C)C(C)C | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060179 | abrisaponin i | C48H74O20 | 971.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060180 | C13837 | C48H76O18 | 941.11 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060181 | azukisaponin v | C48H78O18 | 943.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060332 | thujene | C10H16 | 136.23 g/mol | CC1C=CC2(C1C2)C(C)C | |
| TCMBANKIN060431 | 4-Carene,(1S,3 R,6R)-(- )- | C10H16 | 136.23 g/mol | CC1CC2C(C2(C)C)C=C1 | |
| TCMBANKIN060468 | (+)-calaren | C15H24 | 204.35 | CC1CCC=C2C1(C3C(C3(C)C)CC2)C | |
| TCMBANKIN060575 | alpha-gurjunene | C15H24 | 204.35 g/mol | CC1CCC2C(C2(C)C)C3=C(CCC13)C | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060692 | beta-sitosteryl acetate | C31H52O2 | 456.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060730 | 1,2,4-Triethyl-benzene | C12H18 | 162.27 g/mol | CCC1=CC(=C(C=C1)CC)CC | |
| TCMBANKIN060942 | nonane | C9H20 | 128.26 | CCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061255 | Ethyl protocatechuate | C9H10O4 | 182.17 | CCOC(=O)C1=CC(=C(C=C1)O)O | |
| TCMBANKIN061375 | Abrine | NCGC00142581-01; N-methyl-L-tryptophan; 69555_FLUKA; (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid; N-Metil-L-triptofano; A829179; L-2-Methyltryptophan; 3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propanoic acid; L-Abrine; N(alpha)-methyl-L-tryptophan; EINECS 208-388-5; SBB012419; 434248_ALDRICH; CHEBI:15334; abrine; Nalpha-Methyl-L-tryptophan; (2S)-3-(1H-indol-3-yl)-2-methylaminopropanoic acid; N-Methyl-L-tryptophane; C02983; 526-31-8; 3-(1H-indol-3-yl)-2-(methylammonio)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propionic acid; abrin | C12H14N2O2 | 218.25 | CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
| TCMBANKIN061479 | tamarixetin | 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; FPLMIPQZHHQWHN-UHFFFAOYSA-N; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-3,3',5,7-tetrahydroxyflavone; 4'-methoxy-3,5,7,3'-tetrahydroflavone; 4'-O-Methyl Quercetin; D06PZE; CC-34633; tamarixetin ; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); CHEBI:67492; Tamaraxetin; W2755; SCHEMBL892776; 4'-O-Methylquercetin; 3,3',5,7-Tetrahydroxy-4'-methoxyflavone; Tamarixetin; Quercetin-4'-methylether; BDBM50325674; 4'-Methoxyquercetin; quercetin 4'-methyl ether; C-19473; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 603-61-2; MolPort-001-741-910; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; FT-0603487; AKOS024287252; UNII-73WRA8Z8M8; ZINC6484604; C10188; ST5331691; 73WRA8Z8M8; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; AC1NQYX7; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; MFCD00017308; 3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside; LMPK12110606; MCULE-8124433804; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; DTXSID00209056; Quercetin 4'-methyl ether; ST50331691; 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 3-O-rhamnopyranosyl-1-2-glucopyranoside; CHEMBL226034; 4'- methoxy- 3,3',5,7- tetrahydroxy flavone | C16H12O7 | 316.26 g/mol | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
植物对应的疾病
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植物对应的靶点
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