Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003426 |
ID: | TCMBANKHE003426 |
植物拉丁名: |
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功能与主治: | To activate blood circulation and regulate menstruation, to subdue hyperactivity of the liver, and to clear the eye of opacity./Treatment of menstrual disorders, amenorrhea, hysmenorrhea, inflammation of the eye with formation of corneal opacity, dizziness and headache. |
药用植物名: | 茺蔚子 |
药味: | Minor cold; Sweet |
经络: | Liver; Heart; Kidney |
治疗类型: | 活血祛瘀药 |
TCM_ID_id: | 1844 |
SymMap_id: | 67 |
TCMSP_id: | 104 |
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 |
|---|
| TCMBANKIN000053 | stachydrine | dimethylproline; (-)-Stachydrine; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; 104622-EP2301932A1; AJ-38211; (2S)-1,1-DIMETHYL-1??-PYRROLIDINE-2-CARBOXYLIC ACID; Prestwick2_000622; SR-05000002246; SCHEMBL578113; (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid; BPBio1_000644; 1sw1; 2b4m; Prestwick1_000622; ZINC2528042; SPBio_002803; stachy-drine; BSPBio_000584; SC-20792; AC1L9LTA; CHEBI:44813; Prestwick0_000622; N,N-dimethyl-L-prolinium; 1,1-DIMETHYL-PROLINIUM; SR-05000002246-2; Prestwick3_000622 | C7H13NO2 | 143.18 g/mol | C[N+]1(CCCC1C(=O)[O-])C |
| TCMBANKIN000079 | sennoside a | Sennoside A, primary pharmaceutical reference standard; SCHEMBL14477483; (9R,9'R)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; SMP1_000271; C10404; (9R,9'R)-4,4'-DIHYDROXY-10,10'-DIOXO-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5'-{[(3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID; MLS002207024; SMR000857110; HMS2234C24; CS0023; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; MLS001332477; CHEMBL1362935; MEGxp0_001902; Sennoside A; BDBM53380; MLS001332478; LMPK02000045; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-c; 8013-11-4; 81-27-6; Senna (powdered); NSC 112929; (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carbo; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VAN) (9CI); EINECS 201-339-9; Sennoside A, analytical standard; cid_16218404; Sennoside A, United States Pharmacopeia (USP) Reference Standard; ACon0_001464 | C42H38O20 | 862.7 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN000099 | leonurine | ST24030828; DTXSID70179434; CHEBI:80843; S-2878; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-[(aminoiminomethyl)amino]butyl ester; Ambotz24697-74-3; HY-N0741; MolPort-003-986-659; KS-000001AK; 7097-09-8; 4-carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoate; DS-1032; AC1L4PH9; 4-guanidinobutyl 4-hydroxy-3,5-dimethoxy-benzoate; ZINC5998954; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate hydrochloride; Leonurine-hydrochloride; FT-0659198; 697L743; CHEMBL1290284; AKOS025395615; N1392; CS-6071; 4-hydroxy-3,5-dimethoxybenzoic acid 4-guanidinobutyl ester; UNII-09Q5W34QDA; SC-45204; C16985; Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester; 09Q5W34QDA; SCM-198; VA11156; 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate; MolPort-028-751-518; AN-3671; AB0023697; 4CH-009045; MFCD09839432; AK-39841; 4-Guanidino-n-butyl syringate; 7097/9/8; TL8002025; SCHEMBL2685302; BR-39841; 4-GUANIDINOBUTYL 4-HYDROXY-3,5-DIMETHOXYBENZOATE; Leonurine; 24697-74-3; W4810; Leonurine hydrochloride; AKOS015920020; 4-hydroxy-3,5-dimethoxy-benzoic acid 4-guanidinobutyl ester; D08KHD; AJ-64863 | C14H21N3O5 | 311.33 | COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N |
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000319 | 6-hydroxymusizin,8-o-beta-d-glucoside | 408.44 | |||
| TCMBANKIN000562 | tannins | Quebracho extract; 28F9E0DJY6; 67167-65-1; 1041198-33-7; TANNIC ACID; 61790-06-5; 1401-55-4; Tannins; Tannic acid [USP:JAN]; Acide tannique; SCHEMBL17432880; d'Acide tannique; 1041198-44-0; Gallotannic acid; 93615-37-3; UNII-28F9E0DJY6; 73891-88-0 | C27H24O18 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| TCMBANKIN000570 | Palmidin A | 17062-55-4; UNII-RF802M0XYX; palmidin a; Aloeemodin-emodin bianthrone; 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one; RF802M0XYX; AC1NSZET; 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one; 2,4,4',5,5'-PENTAHYDROXY-2'-(HYDROXYMETHYL)-7-METHYL-9H,9'H-[9,9'-BIANTHRACENE]-10,10'-DIONE; (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-; palmidin A | C30H22O8 | 510.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O |
| TCMBANKIN000819 | Rhein diglucoside | 9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid; AC1NT01N; rhein diglucoside | 608.55 | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2=O)C(=O)O)OC5C(C(C(C(O5)CO)O)O)O | |
| TCMBANKIN002192 | 2,3-di-o-galloyl-d-glucose | C20H20O14 | 484.4 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC(C=O)C(C(C(CO)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O | |
| TCMBANKIN002306 | 1,6-di-o-galloyl-β-D-glucose | C20H20O14 | 484.4 | ||
| TCMBANKIN002676 | 1-galloyl-glucose | C13H16O10 | 332.26 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O | |
| TCMBANKIN002983 | Anthraglycoside B | UNII-513F53H6BU; Emodin-1-O-glucoside; emodin 8-O-glucoside; AC1NSXX4; Emodin-1-O-beta-D-glucopyranoside; 9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-6,8-dihydroxy-3-methyl-; 513F53H6BU; 38840-23-2; CHEMBL457945; 1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione; 82145-64-0; anthraglycoside b; 100456-03-9; AK608293; Emodin 1-O-beta-D-glucoside; AKOS030573570 | C21H20O10 | 432.38 | CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O |
| TCMBANKIN003039 | leonurinine | ||||
| TCMBANKIN003342 | (+)-Catechin-pentaacetate | Spectrum5_000588; KBio3_002586; DivK1c_006437; KBio2_007358; Spectrum3_001723; KBioSS_002222; SpecPlus_000341; (+)-catechin-pentaacetate; [(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] ethanoate; acetic acid [(2R,3S)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] ester; Spectrum4_001904; Spectrum2_001767; KBio1_001381; acetic acid [(2R,3S)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-3-chromanyl] ester; SPECTRUM1600537; KBio2_002222; KBioGR_002494; BSPBio_003366; [(2R,3S)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] acetate; KBio2_004790; [(2R,3S)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] acetate; Spectrum_001742; SPBio_001633 | C25H24O11 | 500.45 | CC(=O)OC1CC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C=C3)OC(=O)C)OC(=O)C |
| TCMBANKIN004195 | 5-acetyl-7-hydroxy-2-methyl-chromone | 5-acetyl-7-hydroxy-2-methyl-4-chromenone; 5-Acetyl-7-hydroxy-2-methylbenzopyran-gamma-one; 5-ethanoyl-7-hydroxy-2-methyl-chromen-4-one; 5-acetyl-7-hydroxy-2-methylchromen-4-one; 5-acetyl-7-hydroxy-2-methyl-chromen-4-one | C9H10O | 134.18 | |
| TCMBANKIN006367 | 1,1-dimethylbutylbenzene | 1985-57-5; Benzene, (1,1-dimethylbutyl)-; 2-methylpentan-2-ylbenzene; (1,1-Dimethylbutyl)benzene; NSC245057 | C12H18 | 162.27 g/mol | CCCC(C)(C)C1=CC=CC=C1 |
| TCMBANKIN008098 | sennoside | 517-43-1; IPQVTOJGNYVQEO-JLDSCGAUSA-N; 135S582; C13940; 5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid; 66575-30-2; 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; Pursennid (TN); AC1LCVKW; D02171; Sennosides; 5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; SCHEMBL11140501; Senna-lax; 73613-07-7; [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-; CHEBI:34974; Sennoside (JAN); Sennoside G; Sennosides (USP); [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- | C42H38O20 | 862.7 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN008661 | HEXATRIACONTANE | 630-06-8; Hexatriacontane; 442680_SUPELCO; AI3-52389; NSC407536; EINECS 211-127-8; 2040-92-8; n-Hexatriacontane; H12552_ALDRICH; 52920_FLUKA; 52919_FLUKA; NSC 407536 | C36H74 | 506.97 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| TCMBANKIN008924 | fatty oil | ||||
| TCMBANKIN009097 | Palmidin C | UNII-N3SAI83M4B; (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2',7-dimethyl-; 17177-86-5; Emodin-chrysophanol bianthrone; (10alpha,10'alpha)-2,2'-Dimethyl-4,4',5,5',7'-pentahydroxy-9,9'-bianthracene-10,10'(9H,9'H)-dione; palmidin c; 10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one; AC1NSZEZ; 2,4,4',5,5'-PENTAHYDROXY-2',7-DIMETHYL-9H,9'H-[9,9'-BIANTHRACENE]-10,10'-DIONE; N3SAI83M4B; 10-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-1,6,8-trihydroxy-3-methyl-9,10-dihydroanthracen-9-one; Chrysophanol emodin dianthrone | C30H22O7 | 494.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)O)C=CC=C3O |
| TCMBANKIN009578 | palmidin B | Aloeemodin-chrysophanol bianthrone; AC1NSZEW; UNII-L6LD6C67BV; L6LD6C67BV; 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione, 9CI; (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2-(hydroxymethyl)-2'-methyl-; 17062-56-5; palmidin b; 10-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-1,8-dihydroxy-3-(hydroxymethyl)-9,10-dihydroanthracen-9-one; 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-10H-anthracen-9-one; Palmidin B | C30H22O7 | 494.49 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=CC=C3O |
| TCMBANKIN010249 | rheidin a | 9,9',10,10'-Tetrahydro-2',4,4',5,5'-pentahydroxy-7'-methyl-10,10'-dioxo-[9,9'-bianthracene]-2-carboxylic acid; 4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl)-9H-anthracene-2-carboxylic acid; 2',4,4',5,5'-PENTAHYDROXY-7'-METHYL-10,10'-DIOXO-9H,9'H-[9,9'-BIANTHRACENE]-2-CARBOXYLIC ACID; AC1NT01E; Rheidin A; 4,5-dihydroxy-10-oxo-9-(2,4,5-trihydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene-2-carboxylic acid; Reidin A | C30H20O9 | 524.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)O |
| TCMBANKIN011396 | (6R)-2,6-dimethyloctane | C10H22 | 142.28 | ||
| TCMBANKIN012175 | Gallic acid-4-O-(6'-O-galloyl)-glucoside | gallicacid-4-o-(6'-o-galloyl)-glucoside; gallic acid-4-o-(6'-o-galloyl)-glucoside; 4-[(6-O-Galloyl-beta-D-glucopyranosyl)oxy]-4-deoxygallic acid | C20H20O14 | 484.4 g/mol | C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)C(=O)O |
| TCMBANKIN012580 | 3,5,3′-trihydroxybibenzyl | ||||
| TCMBANKIN012970 | 1,6-digalloyl-2-cinnamoyl-glucose | 1-O,6-O-Digalloyl-2-O-cinnamoyl-beta-D-glucopyranose; [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate; AC1O3D78 | C29H26O15 | 614.5 g/mol | C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(OC2OC(=O)C3=CC(=C(C(=C3)O)O)O)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O |
| TCMBANKIN015414 | physcion-9-o-beta-d-glucopyranoside | ||||
| TCMBANKIN018741 | 2,4,4,6-tetramethylhept-2-ene | 2,4,4,6-Tetramethyl-2-heptene; Hept-2-ene, 2,4,4,6-tetramethyl- | C11H22 | 154.29 g/mol | CC(C)CC(C)(C)C=C(C)C |
| TCMBANKIN019225 | 10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane | 2-methylpropanoic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; 60410-89-1; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzoxol-4-yl] 2-methylpropanoate; 10β-hydroxy-6β-isobutyryl furanoeremophilane; 10beta-hydroxy-6beta-isobutyryl furanoeremophilane; C09685; 2-methylpropionic acid [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] ester; [(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-4-yl] 2-methylpropanoate | C19H28O4 | 320.4 g/mol | CC1CCCC2(C1(C(C3=C(C2)OC=C3C)OC(=O)C(C)C)C)O |
| TCMBANKIN020072 | Rheinoside A | rheinoside a | C27H30O16 | 610.5 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2(C5C(C(C(C(O5)CO)O)O)O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN020335 | Emodin-1-O-beta-D-glucopyranoside | emodin-1-o-beta-d-glucopyranoside; 1,6-dihydroxy-3-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione; 1,6-dihydroxy-3-methyl-8-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]anthracene-9,10-dione; 1,6-dihydroxy-3-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione; 1,6-dihydroxy-3-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-anthraquinone; emodin-1-o-β-d-glucopyranoside; 1,6-dihydroxy-3-methyl-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-anthracene-9,10-dione | C21H20O10 | 432.38 | |
| TCMBANKIN021351 | procyanidin b-13'-o-gallate | procyanidin b1-3'-o-gallate | C37H30O16 | 730.6 g/mol | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
| TCMBANKIN021385 | 2-Butyl-2,7-octadien-1-ol | (2E)-2-butylocta-2,7-dien-1-ol | C12H22O | 182.3 g/mol | CCCCC(=CCCCC=C)CO |
| TCMBANKIN021743 | 3,3-Dimethylcyclohexanol | 3,3-dimethyl-cyclohexanol | C8H16O | 128.21 | CC1(CCCC(C1)O)C |
| TCMBANKIN021837 | o-Toluene diamine | Toluene, 2,6-diamino-; InChI=1/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H; 3-13-00-00291 (Beilstein Handbook Reference); NSC147490; 2-Methyl-m-phenylenediamine; CCRIS 3031; (3-amino-2-methyl-phenyl)amine; ZINC00388289; 2,6-Tolylenediamine; 2-Methyl-1,3-benzenediamine; HSDB 4131; 2-Methyl-1,3-phenylenediamine; BRN 2079476; Toluene-2,6-diamine; 823-40-5; EINECS 212-513-9; 45921_RIEDEL; 1,3-Benzenediamine, 2-methyl-; 2,6-DIAMINOTOLUENE; 2,6-Diamino-1-methylbenzene; NSC 147490; 148113_ALDRICH; 2,6-Toluylenediamine; 2,6-Toluenediamine; NCGC00090710-01; 2-methylbenzene-1,3-diamine | C7H10N2 | 122.17 | CC1=C(C=CC=C1N)N |
| TCMBANKIN022480 | Mutatochrome | 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran; Flavochrome; 5,8-Epoxy-5,8-dihydro-b,e-carotene; AC1O5YSB; mutatochrome | C40H56O | 552.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C |
| TCMBANKIN022600 | 3,5-Di-t-butyl-4-hydroxybenzaldehyde | 4-08-00-00601 (Beilstein Handbook Reference); 140406_ALDRICH; 2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one; 3,5-ditert-butyl-4-hydroxy-benzaldehyde; 2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-; Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-; EINECS 216-592-0; 3,5-Di-tert-butyl-4-hydroxybenzaldehyde; 3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate; FR-0717; InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H; 1620-98-0; 3,5-ditert-butyl-4-hydroxybenzaldehyde; ZINC00056443; Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- (9CI); BRN 0982526; SBB007996; NSC14450; Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-; NSC 14450 | C15H22O2 | 234.33 | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| TCMBANKIN022678 | 1-O-Galloylpedunculagin | 1-o-galloylpedunculagin | C41H28O26 | 936.6 g/mol | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN023675 | rhapontigenin | Rhapontigenin; 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol; rhapontigenin ; 3,3',5-trihydroxy-4'-methoxystilbene; MolPort-019-997-820; KS-000011RW; PHMHDRYYFAYWEG-UHFFFAOYSA-N; CTK1I1471; DB-030330; 5-[2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]benzene-1,3-diol; A827955; ANW-42680; 1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-; 65877-43-2; FT-0656261 | C15H14O4 | 258.27 g/mol | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)O)O)O |
| TCMBANKIN023922 | 3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester | C21H16O10 | |||
| TCMBANKIN024986 | phenylbutanone-glucoside | CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O | |||
| TCMBANKIN025013 | Rheumin | 3-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-5-hydroxy-3,4-dihydropyran-2-one; rheumin; AC1NT01W | C16H11NO2 | 249.26 g/mol | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
| TCMBANKIN025225 | Torachrysone-8-O-beta-D-glucoside | W-203380; 1-[1-hydroxy-6-methoxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-naphthyl]ethanone; Torachrysone8-O-glucoside; BG01696230; MolPort-005-944-957; 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-naphthalen-2-yl]ethanone; Torachrysone 8-glucoside; 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone; NP-007524; Torachrysone 8-O-Glucoside; torachrysone-8-o-β-d-glucoside; 1-(1-HYDROXY-6-METHOXY-3-METHYL-8-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}NAPHTHALEN-2-YL)ETHANONE; CHEMBL109330; ZINC26977303; Ethanone, 1-[8-(b-D-glucopyranosyloxy)-1-hydroxy-6-methoxy-3-methyl-2-naphthale nyl]-; AKOS032962455; 64032-49-1; 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone; torachrysone-8-o-beta-d-glucoside; W2031; 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone | C20H24O9 | 408.4 | CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC |
| TCMBANKIN025498 | Emodinanthrone | 1,6,8-trihydroxy-3-methyl-10-hydroanthracen-9-one; 6-Methyl-1,3,8,9-anthracenetetrol; SCHEMBL6046328; Frangula emodin anthrone; 2,4,5-trihydroxy-7-methylanthracen-10(9H)-one; 491-60-1; UNII-77C500W1A2; emodin anthrone; AC1L3UZ6; Frangulaemodinanthrone; Frangulaemodinanthranol; AN-15164; AIDS-002046; ZINC6070245; 1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one; Emodinanthranol; Protophyscihydrone; AKOS025401350; 1,3,8-Trihydroxy-6-methyl-9(10H)-Anthracenone; BDBM50060878; Emodinol; 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one; 1,3,8-Trihydroxy-6-methylanthrone; 9(10H)-Anthracenone, 1,3,8-trihydroxy-6-methyl-; CHEMBL122192; Emodin anthrone; AC-1208; 491E601; D00BSX; emodin anthrone ; DTXSID80197684; LAJSXCAVRQXZIO-UHFFFAOYSA-N; BC228045; AIDS002046; 77C500W1A2 | C15H12O4 | 256.25 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O |
| TCMBANKIN025619 | (+)-Catechin-5-O-glucoside | (2S,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-chromanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (+)-catechin-5-o-glucoside; (2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (?)-Epicatechin-5-O-beta-D-glucopyranoside | C21H24O11 | 452.4 g/mol | C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O |
| TCMBANKIN025688 | rhein-8-o-beta-d-(6'-oxalyl)-glucopyranoside | rhein-8-o-β-d-(6'-oxalyl)-glucopyra-noside | |||
| TCMBANKIN027691 | Butylacetat | n-Butyl ethanoate; Octan n-butylu [Polish]; InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H; W217409_ALDRICH; EINECS 204-658-1; 496162_ALDRICH; BRN 1741921; Butyle (acetate de) [French]; n-Butylacetate; acetic acid butyl ester; 1-Butyl acetate; 33201_RIEDEL; Butylacetat [German]; n-Butyl acetate [UN1123] [Flammable liquid]; Acetic acid n-butyl ester; n-Butyl acetate (natural); 537454_ALDRICH; HSDB 152; NSC9298; 270687_ALDRICH; AI3-00406; Butylester kyseliny octove [Czech]; 402842_SIAL; Butyl acetate, n-; 287725_ALDRICH; 4-02-00-00143 (Beilstein Handbook Reference); NCGC00091573-01; 45860_FLUKA; Acetate de butyle [French]; Butile (acetati di) [Italian]; n-Butyl acetate; Octan n-butylu; 73285_FLUKA; C12304; Butyle(acetate de); 442666U_SUPELCO; CCRIS 2287; WLN: 4OV1; Butylacetaten [Dutch]; Butile(acetati di); Butylacetaten; ACETIC ACID,BUTYL ESTER; Acetic acid, butyl ester; NSC 9298; Acetate de butyle; W217417_ALDRICH; Butyl acetate; Butyl ethanoate; LS-684; ZINC01699905; 123-86-4 | C6H12O2 | 116.16 | CCCCOC(=O)C |
| TCMBANKIN027793 | 2-o-cinnamoyl-glucogallin | AC1NSTML; 1-O-Galloyl-2-O-cinnamoylglucose; [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate | C22H22O11 | 462.4 g/mol | C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(OC2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O |
| TCMBANKIN029506 | 2-methyl-5-carboxymethyl-7-hydroxychromone | CC1=CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O | |||
| TCMBANKIN031754 | β-sitosterol glucopyranoside | ||||
| TCMBANKIN035216 | Rheidin B | 9-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid; Reidin B; 9-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid; AC1NT01H; rheidin b | C30H20O8 | 508.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=CC=C3O |
| TCMBANKIN035320 | Rheidin C | Reidin C; rheidin c; 9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid; AC1NT01K; 9-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid | C31H22O9 | 538.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)OC |
| TCMBANKIN036792 | rhein | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; 4,5-dihydroxy-7-methyl-9,10-dioxo-anthracene-2-carboxylic acid; SBB001152; C10401; AIDS001379; CCRIS 5129; Rhein; MLS000069639; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8CI); 4,5-DiOH-anthraquinone-2-COOH; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-; ACon1_000217; 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-7-methyl-9,10-dioxo-; 4,5-dihydroxy-anthraquinone-2-carboxylic acid; SMR000058210; 4,5-Dihydroxy-2-anthraquinonecarboxylic acid; 1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE; 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; MEGxp0_001866; LMPK02000044; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracene carboxylic acid; AC1MHQNE; Rhubarb yellow; 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; 1,8-Dihydroxyanthraquinone-3-carboxylic acid; 275611_ALDRICH; NSC38629; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; 4-10-00-04088 (Beilstein Handbook Reference); EINECS 207-521-4; Chrysazin-3-carboxylic acid; NSC 38629; Rhein (1,8-dihydroxy-3-carboxyl anthraquinone); 478-43-3; Monorhein; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid; Cassic acid; 4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid; Rheic acid; AIDS-001379; 4,5-Dihydroxyanthraquinone-2-carboxylic acid; SCHEMBL18601968; R7269_SIGMA; NCGC00023342-03; 4,5-dihydroxy-7-methyl-9,10-dioxoanthracene-2-carboxylic acid; BRN 2222155; 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | C15H10O6 | 286.236 | c1([H])c(O[H])c(C(=O)[C@]([H])(C(O[H])=C([H])C(C(O[H])=O)=C2[H])[C@@]2([H])C3=O)c3c([H])c1[H] |
| TCMBANKIN036804 | acacetin | Linarigenin; KBio2_000595; AIDS014771; SPECTRUM200499; 480-44-4; Acaceztin; 4'-Methoxy-5,7-dihydroxyflavone; Akatsetin; A827453; KBio1_000878; 5,7-Dioxy-4'-methoxyflavone; Apigenin 4'-dimethyl ether; NSC76061; CHEBI:15335; Prestwick1_000695; Spectrum_000135; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; NINDS_000878; 00017_FLUKA; ZINC00005600; Acacetin; AIDS-014771; WLN: T66 BO EVJ CR DO1& GQ IQ; Acacetine; IDI1_000878; Flavone, 5,7-dihydroxy-4'-methoxy- (8CI); 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Prestwick0_000695; NSC 76061; Spectrum5_000930; SPBio_002770; CHEBI:57284; KBioSS_000595; Prestwick_49; NCGC00095213-03; BCBcMAP01_000082; NCGC00016458-01; KBio2_003163; BPBio1_000935; Prestwick2_000695; KBio2_005731; ACAETIN; SMP1_000001; Apigenin 4'-methyl ether; DivK1c_000878; 7-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate; Prestwick3_000695; 5,7-dihydroxy-2-(4-methoxyphenyl)chromone; 5,7-Dihydroxy-4'-methoxyflavone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; BRN 0277879; Flavone, 5,7-dihydroxy-4'-methoxy-; 2-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; C01470; CAS-480-44-4; Buddleoflavonol; NCGC00095213-01; Linarisenin; EINECS 207-552-3; 5-18-04-00575 (Beilstein Handbook Reference); NCGC00095213-02; ST066889; BSPBio_000849; Apisenin 4'-methyl ether; acacetin ; 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate; 4'-Methoxyapigenin; 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | C16H12O5 | 284.263 | c1([H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])C3=O)c3c(O[H])c([H])c1O[H] |
| TCMBANKIN037136 | Chrysophanol-1-O-β-D-glucoside | ||||
| TCMBANKIN037344 | Torachrysone-8-O-beta-D-(6'-oxayl)-glucoside | 2-[[(2R,3S,4S,5R,6S)-6-(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoacetic acid; torachrysone-8-o-beta-d-(6'-oxayl)-glucoside; torachrysone-8-o-β-d-(6'-oxayl)-glucoside; AC1NT11L | 480.46 | CC1=C(C(=C2C(=C1)C=C(C=C2OC3C(C(C(C(O3)COC(=O)C(=O)O)O)O)O)OC)O)C(=O)C | |
| TCMBANKIN037382 | Aloeemodin | AC1Q6JR7; SMP2_000291; Aloe-emodol; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; DSSTox_RID_78855; AS-11638; NCGC00163510-02; HY-N0189; CCG-208456; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; AJ-48016; DTXSID2030695; BC216172; TL8003252; 3-(Hydroxymethyl)chrysazin; MLS000697563; BBL027838; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; AK160272; 481-72-1; aloe emodine; MCULE-6965338444; RP29614; 1, 8-dihydroxy-3-hydroxymethylanthraquinone; BB_NC-2562; NCGC00255349-01; C10294; SR-01000765772; BG00617009; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; ST24045939; DSSTox_CID_10695; Tox21_302400; NCGC00163510-03; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; Aloeemodin; s2259; CS-3709; TR-031339; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 4-08-00-03578 (Beilstein Handbook Reference); AIDS-048396; InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H; 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthrachinon; CAS-481-72-1; EINECS 207-571-7; UNII-C8IYT9CR7C; LMPK13040002; AC-020; NSC-38628; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; 1,8-dihydroxy-3-methylol-9,10-anthraquinone; CCRIS 3526; AC1L1UPK; BG01563188; LS-2202; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; Aloe emodin; AX8006287; SR-01000765772-3; Q-100526; SC-46578; 3-Hydroxymethylchrysazin; Rhabarberone; AIDS048396; NSC 38628; BRN 2059062; C8IYT9CR7C; N1851; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; AB0010470; Aloe-emodin, >=95% (HPLC); ZINC4098644; aloe emodin; HMS3655N16; D09BUG; CHEMBL40275; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); NCGC00163510-01; MLS006011799; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; AN-16215; NCI60_003685; Aloeemodin:9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,; cid_10207; 3-Hydroxymethylchrysazine; Aloe-emodin; SMR000470920; aloeemod-in; MFCD00017373; LMPK02000031; STL146380; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; MolPort-003-931-716; FT-0622062; aloe-emodin; API0001418; 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Rottlerin?; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; A7687_SIGMA; I14-1413; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); CA-417; BDBM50085551; Aloe-emodine; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; Aloe-emodin, analytical standard; AKOS005720864; aloe-emodin ; SCHEMBL309756; 481A721; EMODINE; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; CHEBI:2607; DSSTox_GSID_30695; CA0128 | 270.24 | ||
| TCMBANKIN037410 | 1-O-Galloyl-glycerol | glycerol gallate; 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate; SCHEMBL1392652; AC1NSVMV; NP-011847; 1-o-galloylglycerol; 59634-75-2; 1-o-galloyl-glycerol | C10H12O7 | 244.2 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC(CO)O |
| TCMBANKIN037994 | musizin-8-o-β-d-glucoside | musizin-8-o-beta-d-glucoside | CC1=C(C(=C2C(=C1)C=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)C | ||
| TCMBANKIN038293 | progesterone | Cyclogesterin; Luteovis; Progeffik; (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Gesterol 50; Corlutin; Syngestrets; NCGC00090798-02; D4-Pregnene-3,20-dione; Hormoluton; Pranone; Crinone progesterone gel; Gesterol 100; Prometrium; Proluton; Luteodyn; Prestwick0_000477; Progestasert; SPBio_002553; .delta.4-Pregnene-3,20-dione; Pregnenedione; NSC-9704; P3972_SIGMA; Methylpregnone; 4-Pregnene-3,20-dione; Prolutone; U 3672; Lutocylin; Colprosterone; Utrogest; Lutocylol; CHEBI:17026; SMR000058345; Corporin; Lipolutin; NCGC00090798-01; P8783_SIGMA; Synovex S; ACon1_002078; 3,20-Pregnene-4; Prestwick_411; Progesterone, water-soluble; Cyclogest; progesterone ; Luteal hormone; Prolets; AIDS070516; NCI60_042166; (S)-Pregn-4-en-3,20-dione; 6.alpha.-Methylpregn-4-en-17.alpha.-ol-3,20-dione; Prolidon; NSC 64377; (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Nalutron; Progesterone [BAN:INN:JAN]; Progesteronum [INN-Latin]; STR; Flavolutan; Percutacrine Luteinique; Prontogest; Lutocyclin M; Akrolutin; Lugesteron; Corlutina; SCHEMBL12237373; ZINC03814383; Gynlutin; Gynoluton; Prestwick3_000477; Lutogyl; Progesterone: 2-hydroxypropyl-beta-cyclodextrin complex; Crinone (TN); Gynolutone; Spectrum5_002053; Gesterol; AIDS-070516; Progestronol; Luteopur; Corpus luteum hormone; Lutoform; Luteol; 6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione; 17alpha-Progesterone; STOCK1N-52522; Progesterona [INN-Spanish]; Hormoflaveine; Pregn-4-ene-3,20-dione, 17alpha-hydroxy-6alpha-methyl-; Progesterone [Progestins]; Delta(4)-pregnene-3,20-dione; Progesterone: HBC complex; Delta4-Pregnene-3,20-dione; .beta.-Progesterone; Piaponon; Progestrel; Primolut; Gestone; Pregnene-3,20-dione; Syntolutan; NSC64377; MEGxm0_000472; Progesteron; Gelbkoerperhormon; Membrettes; Progestogel; Gestron; EU-0100895; MLS000028517; Prolutin; EINECS 200-350-6; Luteinique; 57-83-0; Progestron; P9776_SIGMA; NCGC00179853-01; Luteol (VAN); Utrogestan; Lutidon; Progesterol; Luteosan; Gestormone; Gestiron; Progesterone; Lutocuclin M; D00066; Endometrin; Lutin; Progestol; Fologenon; C00410; BG01605063; Lucorteum; 8023-13-0; AI3-51682; 8012-32-6; Luteogan; Agolutin; Progesterone (JP15/USP/INN); 17.alpha.-Hydroxy-6.alpha.-methylpregn-4-ene-3,20-dione; MLS000758277; Crinone; 17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione; Luteohormone; S00293; BPBio1_000676; 17.alpha.-Progesterone; Pregn-4-ene-3,20-dione, 17.alpha.-hydroxy-6.alpha.-methyl-; CMC_13406; NSC 9704; NCGC00022185-06; Luteocrin normale; Progestosol; Protormone; (S)-4-Pregnene-3,20-dione; P6149_SIGMA; Luteine; Lutren; P7556_ALDRICH; 257630-50-5; COL-1620; MolPort-001-740-063; SBB012538; delta(sup4)-Pregnene-3,20-dione; NSC9704; component of Cyclogesterin; Syngesterone; FE-999913; Bio-luton; Prestwick1_000477; NCGC00022185-07; nchembio.2007.53-comp14; Pregn-4-ene-3,20-dione; (1S,3BS,9AR,11AS)-1-ACETYL-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-ONE; 753497-20-0; CCRIS 533; Vitarrine; delta(sup 4)-Pregnene-3,20-dione; Progestone; Luteum; Lipo-Lutin; Progestin; Lutociclina; Progesteronum; WLN: L E5 B666 OV MUTJ A1 E1 FV1; Progekan; .delta.(sup4)-Pregnene-3,20-dione; 46665_RIEDEL; AKOS030503393; Projestaject; Lingusorbs; Lucorteum Sol; Lopac0_000895; Lutex; P0130_SIGMA; Prochieve; Corluvite; BSPBio_000614; BRD-A51738545-001-01-0; Prestwick2_000477; Luteostab; Progesterone; 4-Pregnene-3,20-dione; Lutocyclin; Glanducorpin; Prometrium (TN); HSDB 3389; Lutromone; (S)-Progesterone | C21H30O2 | 314.46 | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| TCMBANKIN038420 | aloeemodin-ω-o-β-d-glucopyranoside | C21H20O10 | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)COC4C(C(C(C(O4)CO)O)O)O)O | ||
| TCMBANKIN039251 | 5-carboxypyranocyanidin-3-o-(6''-o-malonyl-β-glucopyranoside) | C27H23O16+ | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC4=C3C(=C2OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)C=C(O4)C(=O)O)O)O)O | ||
| TCMBANKIN041434 | Procyanidin B-5,3'-O-gallate | AC1NSZSS; procyanidin b-5,3'-o-gallate; [2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | C37H30O16 | 730.67 | c1([H])c(O[H])c([H])c(O[C@]([H])(c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]3([H])c(c(O[H])c([H])c(O[C@]([H])(c4c([H])c(O[H])c(O[H])c([H])c4[H])[C@@]([H])(OC(=O)c5c([H])c(O[H])c(O[H])c(O[H] )c5[H])C6([H])[H])c67)c7O[H])c3c1O[H] |
| TCMBANKIN041527 | Chrysophanol-8-O-beta-D-(6'-O-galloyl)-glucopyranoside | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-1-anthryl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-6-methyl-9,10-dioxo-1-anthryl)oxy]-2-tetrahydropyranyl]methyl ester; [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxo-anthracen-1-yl)oxy-oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; Chrysophanol 8-(6-O-galloyl-beta-D-glucopyranoside); [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(8-hydroxy-9,10-diketo-6-methyl-1-anthryl)oxy]tetrahydropyran-2-yl]methyl ester; chrysophanol-8-o-beta-d-(6'-o-galloyl)-glucopyranoside; AC1NSTKE; CHEMBL109609 | C28H24O13 | 568.5 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| TCMBANKIN041947 | toralactone | 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI; 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one; 9,10-dihydroxy-7-methoxy-3-methyl-benzo[g]isochromen-1-one; toralactone; C17673; AC1NT11O; CHEBI:78029; 41743-74-2; 9,10-dihydroxy-7-methoxy-3-methyl-1-benzo[g]isochromenone; 9,10-dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one; DTXSID20194576; 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one | C15H12*O5 | 272.253 | [*].c1([H])c(O[H])c(c(O[H])c(C(=O)OC(C([H])([H])[H])=C2[H])c2c3[H])c3c([H])c1OC([H])([H])[H] |
| TCMBANKIN042067 | rhapontisterone | ZINC70455558; Punisterone; BG01179478; rhapontisterone; (1S,3AS,5AR,7R,8S,9AR,9BR,10R,11AR)-3A,7,8,10-TETRAHYDROXY-9A,11A-DIMETHYL-1-[(2R,3R,5S)-2,3,5-TRIHYDROXY-6-METHYLHEPTAN-2-YL]-1H,2H,3H,5AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-5-ONE; 8240AH; 137476-71-2 | C27H44O8 | 497 | [C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@]([C@](O[H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])(C([H])([H])[H])C([ H])([H])[H])O[H])([H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H] |
| TCMBANKIN042100 | auraptenol | C15H16O4 | 260.285 | O1c(c(C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])O[H])c(OC([H])([H])[H])c([H])c2[H])c2C([H])=C([H])C1=O | |
| TCMBANKIN043261 | Resveratrol-4'-O-β-D-glucoside | ||||
| TCMBANKIN043611 | Sennoside B | (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; LMPK02000052; AC-6076; sennoside b; ST075008; (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-c; (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid; AKOS025402188; C13526; EINECS 204-895-0; SCHEMBL19004127; 128-57-4; NSC 112930; (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carbo | 862.74 | ||
| TCMBANKIN044701 | Emodin-6-glucoside | CHEMBL522084; 1,8-dihydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione; 1,8-dihydroxy-3-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]anthracene-9,10-dione; AC1NSV28; 1,8-dihydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-anthraquinone; BDBM50025604; Emodin-6-O-beta-D-glucopyranoside; 1,8-dihydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-anthracene-9,10-dione; emodin-6-glucoside; 1,8-dihydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione | C21H20O10 | 432.377 | c1(C([H])([H])[H])c([H])c(O[H])c(C(=O)c(c(O[H])c([H])c(O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])C([H])([H])O[H])O2)c3[H])c3C4=O)c4c1[H] |
| TCMBANKIN045168 | 5-acetyl-7-hydroxy-2-methylbenzopyran-γ-one | C12H10O4 | CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)C)O | ||
| TCMBANKIN046061 | 5-Carboxy-7-hydroxy-2-methyl-benzopyran-gamma-one | AC1NSTDQ; 7-hydroxy-4-keto-2-methyl-chromene-5-carboxylic acid; 7-hydroxy-2-methyl-4-oxo-chromene-5-carboxylic acid; 7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid; 7-hydroxy-2-methyl-4-oxochromene-5-carboxylic acid; 7-hydroxy-2-methyl-4-oxo-5-chromenecarboxylic acid; 5-carboxy-7-hydroxy-2-methyl-benzopyran-gamma-one; 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid | C11H8O5 | 220.178 | c1(O[H])c([H])c(OC(C([H])([H])[H])=C([H])C2=O)c2c(C(O[H])=O)c1[H] |
| TCMBANKIN046073 | Rhein-8-O-β-D-glucopyranoside | rhein-8-o-beta-d-glucopyranoside | 485.4 g/mol | ||
| TCMBANKIN046240 | 7-Hydroxy-2-(2-hydroxy)propyl-5-methyl-benzopyran-γ-one | ||||
| TCMBANKIN048572 | Sennoside E | sennoside e; 9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxalooxy-oxan-2-yl]oxy-4-hydroxy-10-oxo-9H-anthracene-2-carboxylic acid; 11137-63-6; CTK0H6234 | C44H38O23 | 934.8 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)OC(=O)C(=O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| TCMBANKIN050213 | (-)-Epicatechin-pentaacetate | Spectrum2_000465; (-)-epicatechin-pentaacetate; KBioGR_002065; KBio2_002514; [(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] ethanoate; SDCCGMLS-0066813.P001; Spectrum3_001219; Spectrum4_001633; acetic acid [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)-3-chromanyl] ester; [(2R,3R)-5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)chroman-3-yl] acetate; SPBio_000570; KBio3_002138; [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] acetate; KBio2_007650; Spectrum5_000445; BSPBio_002638; acetic acid [(2R,3R)-5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] ester; KBio2_005082; SPECTRUM1504256; Spectrum_001964; KBioSS_002522 | C25H24O11 | 500.451 | c12c(O[C@]([H])(c3c([H])c([H])c(OC(=O)C([H])([H])[H])c(OC(=O)C([H])([H])[H])c3[H])[C@]([H])(OC(C([H])([H])[H])=O)C1([H])[H])c([H])c(OC(=O)C([H])([H])[H])c([H])c2OC(=O)C([H])([H])[H] |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058063 | 6-O-Galloylglucose | [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexyl] ester; 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] ester; 13186-19-1; D-Glucose, 6-(3,4,5-trihydroxybenzoate); D-Glucose, 6-gallate; 6-O-Galloyl-D-glucose; [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] 3,4,5-trihydroxybenzoate; 6-o-galloyl-glucose; 6-o-galloyl-d-glucose; D-Glucose,6-(3,4,5-trihydroxybenzoate); 13186-19-1; 6-O-Galloylglucose; CHEMBL1221848; D-Glucose, 6-(3,4,5-trihydroxybenzoate); AC1Q6A7B; 6-O-Galloyl-glucose; CTK4B7571; AC1L2UJB; SCHEMBL3228891; 6-O-Galloyl-D-glucose; (2R,3R,4S,5R)-2,3,4,5-TETRAHYDROXY-6-OXOHEXYL 3,4,5-TRIHYDROXYBENZOATE | C13H16O10 | 332.26 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(C(C=O)O)O)O)O |
| TCMBANKIN058067 | 1,2,6-tri-O-galloyl-β-D-glucose;1,2,6-trigalloylglucose;1,2,6-tri-o-galloyl-glucose;1,2,6-tri-o-galloyl-beta-d-glucopyranoside | 1,2,6-tri-o-galloyl-β-d-glucose | 470.76 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O | |
| TCMBANKIN058071 | gallic acid 3- o -(6-galloylglucoside) | Gallic acid-3-O-(6'-O-galloyl)glucoside; gallic acid-3-O-(6'-O-galloyl)-glucoside; 3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl]oxy]benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid; gallicacid-3-o-(6'-o-galloyl)glucoside; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl]oxy-benzoic acid; gallic acid-3-o-(6'-o-galloyl)-glucoside | C20H20O14 | 484.36 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| TCMBANKIN058410 | Azulen | InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8; 82R6M9MGLP; 275-51-4; AC1L1SM7; MFCD00003810; AZULENE, M.P. 99 C; ST5411971;azulene; ACMC-209gy0; Cyclopentacycloheptene; A97203_ALDRICH; FCH1115647; 37879_RIEDEL; ZINC1570209; CHEBI:31249; DB-047243; UNII-82R6M9MGLP; TR-012336; A0634; SC-47564; NSC 89248; Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene; Azulene (JAN); DTXSID2059770; AN-5880; CC-24235; Bicyclo(0.3.5)deca-1,3,5,7,9-pentaene; Bicyclo(5.3.0)-1,3,5,7,9-decapentaene; labotest-bb lt00007822; azulene radical cation; Azulene cation radical; C-30055; SR-01000944574-1; AKOS015840881; D09768; ANW-26230; LS-23565; CS-0006517; bicyclo(5.3.0)-deca-1,3,5,7,9-pentaene; SR-01000944574; CHEMBL3272628; EINECS 205-993-6; S14-1306; Bicyclo(5.3.0)decapentaene; MCULE-9439882903; Azulene, standard for GC, >=99.0% (GC); CUFNKYGDVFVPHO-UHFFFAOYSA-N; ST50411971; S14-2908; cyclopentacyclohepten; Azunamic; LS40101; Bicyclo[5.3.0]-1,5,7,9-decapentaene; A819116; J-016811; NSC-89248; Azusalen [as sodium sulfonate]; NSC89248; Azulene, analytical standard; C13392; SBB056611; PubChem6349; CTK1A3397; KB-47493; Bicyclo[5.3.0]-1,3,5,7,9-decapentaene; azulene; Bicyclo[5.3.0]decapentaene; CJ-24708; Azulekeep; 11650_FLUKA; Azulene, 99%; FT-0622537; API0001577; azulen; CL22917; AZULENE | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=C2C=C1 |
| TCMBANKIN058415 | aloe-emodin-omega-o-beta-d-glucopyranoside | Aloeemodin-omega-O-beta-D-glucopyranoside;1,8-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]anthracene-9,10-dione; 29010-56-8; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-, mono-beta-D-glucopyranoside; 1,8-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]anthracene-9,10-dione; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione mono-beta-D-glucopyranoside; 1,8-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-9,10-anthraquinone; 1,8-dihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione | C21H20O10 | 432.4 g/mol | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)COC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN058418 | sennidine a | 4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID; AC1L3VD0; Ambap641-12-3; NSC658576; AK608210; Sennidin; Sennidine A; Sennidin-B; 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid; 8257AH; MFCD00017368; AKOS030573519; AC1Q5UOM; CTK8D5196; 641-12-3; C-23137; 98461-42-8; CHEMBL227796; 4,4',5,5'-tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-; FT-0603502;(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid; (9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid; (R*,R*)-(+)-9,9',10,10'-Tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid; EINECS 211-371-5; 641-12-3;Dihydroxydianthrone | C30H18O10 | 538.5 g/mol | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O |
| TCMBANKIN058420 | Sennidin C | N2676; Sennoside C; sennidin c; C16797; UQ166P8802; MolPort-023-220-757; [9,9'-Bianthracene]-2-carboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-,(9R,9'R)-rel-; BG01195722; (9R,9'R)-5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-9,9'-bianthracene-2-carboxylic acid; CHEBI:80734; UNII-UQ166P8802; C42H40O19; (9,9'-Bianthracene)-2-carboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (R*,R*)-; (9R,9'R)-4,4'-DIHYDROXY-2'-(HYDROXYMETHYL)-10,10'-DIOXO-5,5'-BIS({[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY})-9H,9'H-[9,9'-BIANTHRACENE]-2-CARBOXYLIC ACID; 37271-16-2; AK166906; 271S162; X1229; ZINC169722601; BG01794143; Sennoside D; AKOS025287037; Sennoside-C; Q-100439;N2676; C16797; UQ166P8802; MolPort-023-220-757; [9,9'-Bianthracene]-2-carboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-,(9R,9'R)-rel-; BG01195722; (9R,9'R)-5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-9,9'-bianthracene-2-carboxylic acid; CHEBI:80734; UNII-UQ166P8802; C42H40O19; (9,9'-Bianthracene)-2-carboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (R*,R*)-; sennoside c; (9R,9'R)-4,4'-DIHYDROXY-2'-(HYDROXYMETHYL)-10,10'-DIOXO-5,5'-BIS({[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY})-9H,9'H-[9,9'-BIANTHRACENE]-2-CARBOXYLIC ACID; 37271-16-2; AK166906; 271S162; X1229; ZINC169722601; BG01794143; Sennoside D; AKOS025287037; Sennoside-C; Q-100439;Sennoside C | C42H40O19 | 848.8 g/mol | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO |
| 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 |
| TCMBANKIN058507 | cinnamtannin a4 | [epicatechin-(4β→8)] 5-epicatechin; [Epicatechin-(48)]5-epicatechin; [epicatechin-(48)]5-epicatechin | C90H74O36 | 1731.53 | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=CC(=C6C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=C(C(=CC(=C91)O)O)C1C(C(OC2=CC(=CC(=C12)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| TCMBANKIN058512 | procyanidin b23,3'-di-o-gallate;Procyanidin B-23,3'-di-O-gallate;3,3'-digalloylprocyanidin;3,3'-digalloylprocyanidin b 2 | 3,3'-digalloylprocyanidin; procyanidin B2-3,3'-di-O-gallate;procyanidin b-23,3'-di-o-gallate; procyanidin b-2 3,3'-di-o-gallate | C44H34O20 | 882.7 g/mol | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| TCMBANKIN058520 | catechin c;epicatechin;alpha-catechin;(-)epicatechin | epi-Catechol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; SCHEMBL13350313; Epicatechin; (.+-.)-Epicatechol; (+/-)-Epicatechin; AC1L5SMJ; L-Epicatechin; Epicatechol, (-)-; 17334-50-8; NSC-81162; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; epicatechin ; NSC81162; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; NSC-81161; NSC81161;EINECS 207-710-1; KBio2_003207; SpecPlus_000267; (+/-)-Epicatechin; SMP1_000115; AIDS-001347; NSC81161; STOCK1N-16439; (-)-epicatechin; KBioGR_001538; NSC 81161; .alpha. Catechin; BCBcMAP01_000224; KBio1_001307; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-; CCRIS 7097; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- (9CI); C09727; (- )-epicatechin; KBio2_005775; Spectrum3_000243; KBioSS_000639; NCGC00015215-01; (-)-Epicatechin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; 17334-50-8; ZINC00119988; (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; SCHEMBL13350313; (-)- epicatechin; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; (.+-.)-Epicatechol; E4018_SIGMA; CHEBI:28466; NSC81162; Spectrum4_000949; 525952_ALDRICH; NSC-81162; DivK1c_006363; 2545-08-6; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; (−)-Epicatechin; AC1L5SMJ; Lopac-C-1251; NCGC00016415-02; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; Spectrum5_000929; l-Acacatechin; AIDS001347; E1753_SIGMA; 39263_FLUKA; (-)epicatechin ; Epicatechin; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; Spectrum2_000675; 490-46-0; KBio3_001126; KBio2_000639; Prestwick_203; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane; NCGC00016415-01; (-)-epicatechin ; Epicatechin-(-); SDCCGMLS-0066927.P001; CAS-7295-85-4; (- )- epicatechin; 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene; SPBio_000769; L-Epicatechin; epi-Catechol; Oprea1_209947; NSC-81161; (-) epicatechin; SPECTRUM210206; BSPBio_001626; (2R,3R)-(-)-Epicatechin; Spectrum_000159; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; epi-Catechin; CAS-154-23-4; ACon1_001106; Epicatechol, (-)- | C15H14O6 | 290.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| TCMBANKIN058521 | (-)-epicatechin-3-gallate | epicatechin-3-gallate; L-Epicatechin gallate; (-)-epicatechin gallate; (+)- Catechin gallate table; catechin gallate; 7-o-galloyl- (+) -catechin; (-)-epicatechin-3-o-gallate; (?)-epicatechin-3-o-gallate; (-)-Catechin gallate; Epicatechin gallate; (-)-Epicatechin-3-gallate; KBioSS_000794; 1257-08-5; DivK1c_006371; Spectrum2_000165; NSC 636594; KBioGR_001980; Epicatechol, 3-gallate, (-)- (8CI); [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (−)-Epicatechin gallate; SPECTRUM210238; KBio2_003362; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; MEGxp0_000810; KBio1_001315; (-)-Epicatechin gallate; SpecPlus_000275; BSPBio_001632; KBio2_000794; SPBio_000029; (−)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; Spectrum5_000080; SDCCGMLS-0066549.P001; Spectrum3_000246; E3893_SIAL; Spectrum_000314; Epicatechol, gallate (6CI); 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; KBio3_001132; Spectrum4_001540; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; AIDS000675; 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; KBio2_005930; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane 3-gallate; AIDS-000675; catechin gallate ; catechin-3 gallate; CG; 7-o-galloyl-(+)-catechin; (-)-Epicatechin-3-O-gallate,; (-)-Epicatechin-3-gallate,; (-)-epicatechin 3-o-gallate ; SpecPlus_000275; (-)-Epicatechin gallate; KBioSS_000794; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; LMPK12020090; KBio2_003362; ECG; 92587OVD8Z; 1257-08-5; 3,4,5-Trihydroxybenzoic Acid (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester; AS-15722; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; UNII-92587OVD8Z; KBio3_001132; 3-Galloyl-(2R,3R)-(-)-Epicatechin; SR-05000002675; (-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; CCG-38376; (-) epicatechin gallate; NSC636594; 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 3-O-Galloylepicatechin; CHEMBL36327; BDBM50153015; (-)-epicatechingallate; Epicatechin gallate; (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate; AM84365; Q-200002; Epicatechol, 3-gallate, (-)-; ZINC3978503; SCHEMBL39047; C-22380; KBio1_001315; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; epi-Catechin 3-O-gallate; MolPort-001-740-964; (-)-epi-Catechin 3-O-gallate; DivK1c_006371; Epicatechol, gallate (6CI); (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; C22H18O10; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; BRD-K50660797-001-01-0; NSC 636594; epicatechin-3-O-gallate; Epicatechin 3-gallate; (-)-Epicatechin-3-gallate; (-)-Epicatechin gallate,; (-)epicatechingallate; HY-N0002; epicatechin gallate, (2R-cis)-isomer; L-Epicatechin gallate; NCGC00179135-01; (-)-Epicatechin-3-O-gallate; KBio2_000794; SDCCGMLS-0066549.P001; CTK8E0233; epicatechin monogallate; CS-3761; BSPBio_001632; 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 2.57E+87; AC-6037; AN-48941; Teatannin; Spectrum_000314; Spectrum5_000080; MEGxp0_000810; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin gallate, primary pharmaceutical reference standard; Spectrum2_000165; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; Epicatechol, gallate; NP-002326; AC1L32YN; 3-Galloyl-(-)-epicatechin; (-)-Epicatechin 3-O-gallate; SPECTRUM210238; SPBio_000029; ST24033389; AC1Q5X10; Epicatechol, 3-gallate, (-)- (8CI); KBio2_005930; AJ-47571; MCULE-8110076741; Spectrum4_001540; epicatechin gallate (ECG); E0890; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epicatechin gallate, >=98% (HPLC), from green tea; AKOS015965216; SR-05000002675-1; 3-Gallate(-)-Epicatechol; CHEBI:70255; KB-277863; LS-38401; LSHVYAFMTMFKBA-TZIWHRDSSA-N; (-)-cis-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane 3-gallate; MFCD00075936; AX8001457; AB0017581; KBioGR_001980; Spectrum3_000246; CE0014; Q429; AIDS-231457; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; AIDS231457; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; (-)-epicatechin gallate; epicatechin-3 gallate; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; epicatechin gallate ; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin-3-gallate; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; epicatechin gallate; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-; Epicatechin-3-galloyl ester; 863-03-6 | C22H18O10 | 442.4 g/mol | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| 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 |
| TCMBANKIN058918 | (e)-4-phenyl-3-buten-2-one | NCI60_004369; Benzalacetone; 11960_FLUKA; Methyl styryl acetone; NCGC00091356-01; 2-Phenylvinyl methyl ketone; Acetocinnamone; Benzylidene acetone (natural); 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; WLN: 1V1U1R; trans-4-Phenyl-3-butene-2-one; Benzylidene acetone; 4-Phenyl-3-buten-2-one; 122-57-6; trans-Benzylidenacetone; EINECS 217-587-6; 4-Phenyl-3-butene-2-one; Methyl styryl ketone; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; 241091_ALDRICH; Methyl beta-styryl ketone; NSC 5605; 4-phenylbut-3-en-2-one; 2-07-00-00287 (Beilstein Handbook Reference); Methyl .beta.-styryl ketone; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-4-Phenyl-3-buten-2-one; Methyl 2-phenylvinyl ketone; ZINC01589953; Benzalaceton [German]; 1896-62-4; Ketone, methyl styryl; T5396015; trans-Benzylideneacetone; Benzalaceton; W288101_ALDRICH; AI3-52291; Methyl trans-styryl ketone; (E)-4-phenylbut-3-en-2-one; trans-Benzalacetone; Benzylideneacetone; NSC5605; EINECS 204-555-1; FEMA No. 2881; trans-4-Phenyl-3-buten-2-one; CCRIS 5319; BRN 0742047; ghl.PD_Mitscher_leg0.147; (3E)-4-phenylbut-3-en-2-one; 4-Phenylbutenone; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); AI3-00944; Benzilideneacetone; BRN 0742046; 3-Buten-2-one, 4-phenyl-; 147885_ALDRICH; (E)- benzylidene acetone; benzylideneacetone; TPBO; BWHOZHOGCMHOBV-UHFFFAOYSA-N; CJ-16027; (3E)-4-Phenylbut-3-en-2-one (Benzalacetone); W-109036; 2-Phenylvinyl methyl ketone; DSSTox_GSID_31626; A813340; Benzylidene acetone (natural); DSSTox_CID_11626; MolPort-004-288-302; t-PBO; 4-Phenyl-(E)-3-Buten-2-one; (E)-Benzylideneacetone; Benzalacetone, analytical standard; DSSTox_RID_78888; 3-Buten-2-one, 4-phenyl-, (3E)-; AKOS000119902; (E)-4-Phenyl-3-buten-2-one; LS-666; MP-2122; 1-Phenyl-1-buten-3-one; SCHEMBL312972; MFCD00008779; benzylideneacetone, (Z)-isomer; trans-4-Phenyl-3-buten-2-one, >=99%; Benzylideneacetone; TC-172858; BWHOZHOGCMHOBV-BQYQJAHWSA-N; Benzilideneacetone; RL01029; METHYL STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (1896-62-4)); Methyl styryl acetone; NCGC00091356-01; W-107746; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-1-Buten-3-one, 1-phenyl; WLN: 1V1U1R; DTXSID1031626; Tox21_301598; SCHEMBL76632; TPBO; Epitope ID:120383; KB-47903; 4-Phenyl-3-butene-2-one; DB-003136; SMR001252234; 4-Phenyl-3-buten-2-one, 99%; Benzylideneacetone, >=98%, FG; AC1LCUWK; Methyl .beta.-styryl ketone; AN-22878; STK803195; 1896-62-4; Ketone, methyl styryl; UNII-B03X40BMT5; (E)-4-phenylbut-3-en-2-one; FT-0083233; (e)-3-buten-2-on; 4-PHENYL-2-BUTENONE; CCRIS 5319; (E)-Benzalacetone; E-4-phenyl-3-buten-2-one; ghl.PD_Mitscher_leg0.147; AK116927; B03X40BMT5; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); NCGC00255323-01; 4-PHENYL-3-BUTEN-2-ONE; METHYL TRANS-STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (122-57-6)); AN-50066; 3-Buten-2-one, 4-phenyl-; DS-4780; RTC-069523; trans-4-phenyl-but-3-en-2-one; I01-10159; trans-4-Phenyl-3-butene-2-one; AB1011458; ST51052045; EINECS 217-587-6; AJ-72632; A804921; (E)-Methyl Styryl Ketone; Methyl styryl ketone; Benzalacetone; Benzylideneacetone; Methyl styryl ketone; BENZ; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; Methyl beta-styryl ketone; fema 2881; NSC 5605; Methyl (E)-2-Phenylethenyl Ketone; Methyl 2-phenylvinyl ketone; CHEBI:78399; Benzalaceton [German]; MLS002454416; NCGC00091356-02; P0163; trans-Benzylideneacetone; Benzalaceton; Methyl trans-styryl ketone; EINECS 204-555-1; LS-958; FEMA No. 2881; BRN 0742047; (3E)-4-phenylbut-3-en-2-one; ST2411593; I01-5963; BRN 0742046; methyltrans-styrylketone; Benzalacetone; EC 204-555-1; Acetocinnamone; 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; HMS2268K18; Benzylidene acetone; Jsp003898; 122-57-6; trans-Benzylidenacetone; NSC-5605; CHEBI:217301; AK107621; Warfarin Impurity (Benzalacetone); BBL012455; trans-Phenylvinyl Methyl Ketone; MolPort-001-779-702; CAS-1896-62-4; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; trans-1-Phenylbut-1-en-3-one; F0001-0357; 2-07-00-00287 (Beilstein Handbook Reference); 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; CHEMBL73639; (E)-4-Phenyl-but-3-en-2-one; Methyl beta -STYRYL ketone; RP21073; benzylideneacetone, (E)-isomer; 4-Phenylbut-3-en-2-one; AI3-52291; trans-Benzalacetone; (3E)-4-Phenyl-3-buten-2-one; Benzalaceton (german); NSC5605; ZINC19230125; trans-4-Phenyl-3-buten-2-one; 4-Phenylbutenone; KB-47501; AI3-00944; TC-069523; 1-Buten-3-one-1-phenyl | C10H10O | 146.19 g/mol | CC(=O)C=CC1=CC=CC=C1 |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN059034 | anomalamide | Asperglaucide; asperglaucide; N-benzoylphenylalanyl-L-phenylalaninol acetate; aurantiamide acetate; aurentiamide acetate; aurantiamide acetate; [(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate; AC1NT07U | C27H28N2O4 | 444.52 | CC(=O)OCC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059675 | rottlerin | C30H28O8 | 516.5 g/mol | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC=CC=C4)O)O | |
| TCMBANKIN059715 | vitamin a | C20H30O | 286.5 g/mol | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | |
| TCMBANKIN059851 | physcion 1-o-beta-d-glucoside | C28H32O15 | 462.44 | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC)O | |
| TCMBANKIN059870 | cassiachromone | C13H12O4 | 232.23 g/mol | CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)C | |
| TCMBANKIN059920 | o-methylacetophenone | C9H10O | 134.17 g/mol | CC1=CC=CC=C1C(=O)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 | |
| TCMBANKIN059931 | Physciondiglucoside | C28H32O15 | 608.54 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN059933 | Pulmatin | C21H20O9 | 416.38 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN059935 | Rheochrysin | C22H22O10 | 446.4 g/mol | CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)OC | |
| TCMBANKIN059936 | Chrysophanol glucoside | C21H20O9 | 416.4 g/mol | CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=CC=C4O | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060134 | 1-Cinnamoyl-3-hydroxy-11-methoxymeliacarpinin | C37H44O13 | 696.81 | CC12COC3C1C4(COC(C4C5(C3OC6(C5(C7CC6C8(C=COC8O7)O)O)C)C)(C(=O)OC)OC)C(CC2O)OC(=O)C=CC9=CC=CC=C9 | |
| TCMBANKIN060393 | 2-Methyl-5-carboxymethyl-7-hydroxychromanone | C12H12O5 | 236.24 | CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O | |
| TCMBANKIN060704 | (z,z,z)-9,12,15-octadecatrienoic acid | C18H30O2 | 278.4 g/mol | CCC=CCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060912 | 2-Methyl cardol;2-Methylcardol monoene | C22H36O2 | 332.5 g/mol | CCCCCCC=CCCCCCCCC1=CC(=C(C(=C1)O)C)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060976 | n-decane | C10H22 | 142.28g/mol | CCCCCCCCCC | |
| TCMBANKIN061003 | Dodekan,dodecane,n-dodecane | C12H26 | 170.33 g/mol | CCCCCCCCCCCC | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061122 | tricosane | C23H48 | 324.63 g/mol | CCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061471 | rhaponticin | A809657; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 2-methoxy-4-[2-(3-methyl-5-oxidanyl-phenyl)ethenyl]phenol; rhaponticin ; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 4-[2-(3-hydroxy-5-methylphenyl)ethenyl]-2-methoxyphenol | C21H24O9 | 420.4 g/mol | COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| TCMBANKIN061906 | 1-o-galloyl-glucose | C13H16O10 | 332.26 g/mol | COC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
植物对应的疾病
| 疾病ID | 病名 | 疾病类型 | MeSH | 参考文献 |
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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