Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004636 |
ID: | TCMBANKHE004636 |
植物拉丁名: |
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功能与主治: | To tonify the spleen and replenish qi, to nourish blood, and to ease the mind./Reduced food intake due to spleen vacuity, lack of strength and sloppy stool, visceral agitation. |
药用植物名: | 大枣 |
药用部位: | ripe fruit |
药味: | Warm; Sweet |
经络: | Spleen; Stomach |
临床特征: | 1. Oral administration increases the level of cAMP and decrease the level of cGMP in plasma and in leukocytes.2. Protect the liver from damage.3. Hypotensive. |
治疗类型: | 补气药 |
TCM_ID_id: | 1076 |
SymMap_id: | 90 |
TCMSP_id: | 193 |
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 |
|---|
| TCMBANKIN000040 | jujuboside a | jujuboside A; JuA; Jujuboside A1; 2-[(4-{[4,5-DIHYDROXY-6-({[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)-3-[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]OXAN-2-YL]OXY}-5-HYDROXY-2-{[16-HYDROXY-2,6,6,10,16-PENTAMETHYL-18-(2-METHYLPROP-1-EN-1-YL)-19,21-DIOXAHEXACYCLO[18.2.1.0(1),(1)?.0(2),(1)(1).0?,(1)?.0(1)?,(2)?]TRICOSAN-7-YL]OXY}OXAN-3-YL)OXY]-6-METHYLOXANE-3,4,5-TRIOL; 2-[(4-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0;{1,14}.0;{2,11}.0;{5,10}.0;{15,20}]tricosan-7-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol | C58H94O26 | 1207.3 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O |
| TCMBANKIN000309 | Daechuine S10 | 564.75 | |||
| TCMBANKIN001522 | Daechuine S5 | 488.75 | |||
| TCMBANKIN001764 | Mauritine A | mauritine a | C32H41N5O5 | 575.7 | CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C |
| TCMBANKIN001994 | 3-O-cis-p-coumaroyl alphitolic acid | 3-O-cis-p-coumaroyl-alphitolic acid | 632.96 | ||
| TCMBANKIN002017 | daechunine S9 | ||||
| TCMBANKIN002897 | 6-Fluoroindole-7-Dehydrocholesterol | 402.7 | |||
| TCMBANKIN003119 | 12-O-Nicotinoylisolineolone | 12-o-nicotinoylisolineolone; AC1NSZ3Z; [(3S,8S,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate | 469.63 | CC(=O)C1CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CN=CC=C5)C)O | |
| TCMBANKIN003372 | 1-O-β-D-glucopyranosyl-(2S,3S,4R,8E)-2-[(2′R)-2'-hydroxy-tetracosanoyl]-8-octadecene-1,3,4-triol | C48H92O10 | |||
| TCMBANKIN003468 | zizyberenalicacid | C30H44O3 | 452.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(=CC5(C)C)C=O)C)C)C(=O)O | |
| TCMBANKIN003623 | jujubasaponim Ⅰ | ||||
| TCMBANKIN003885 | Sinapyl alcohol | 404586_ALDRICH; Sinapic alcohol; Phenol, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-; Sinapoyl alcohol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenol; 4-(3-hydroxyprop-1-enyl)-2,6-dimethoxy-phenol; 4-Hydroxy-3,5-dimethoxycinnamyl alcohol; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxy-phenol; sinapyl alcohol; 537-33-7; 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol; 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-; ST069367; CHEBI:28813; C02325; 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol; InChI=1/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3; Sinapyl alcohol, (E) | C11H14O4 | 210.23 | COC1=CC(=CC(=C1O)OC)C=CCO |
| TCMBANKIN004182 | daechunine S6 | ||||
| TCMBANKIN004416 | Jujubasaponin VI_qt | C42H68O14 | 796.98 | ||
| TCMBANKIN005493 | ziziphussaponin i | ||||
| TCMBANKIN005711 | 4'-Hydroxy-3'-methoxycinnamaldehyde | (Z)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)-; EINECS 207-278-4; (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal | C10H10O3 | 178.18 | COC1=C(C=CC(=C1)C=CC=O)O |
| TCMBANKIN005718 | tauremisin | (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione; NCGC00247310-02; Tauremizin; AC1L3RU8; CTK8E0358; NCGC00247310-01; Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,5a,9,9a-hexahydronaphtho[1,2-b]furan-2,6(3H,9bH)-dione; 34319-09-0; HMS2225C10; 3162-56-9; NCGC00247310-03_C15H20O4_(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione; ZINC3881676; Barrelin; Judaicin (sesquiterpene); MLS001185447; 3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3H,4H)-dione; Judaicin (eudesmane naphthofuran); MolPort-002-507-199; Vulgarin, >=90% (LC/MS-ELSD); LS-68583; MCULE-9439093573; BG00615162; C09600; Vulgarin; BBL034028; 17237-80-8; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)-; (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3h,4h)-dione; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-; BB_NC-0703; 1351-48-0; 5091/7/6; Tauremisin; Judaicin; SMR000445685; CHEMBL1422618; AKOS001483019; CHEBI:10024; (3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione; MCULE-3300544479; MLS000728573; STK013739 | C15H20O4 | 264.32 g/mol | CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C |
| TCMBANKIN005873 | Jujubasaponin V | jujubasaponin v | C48H78O18 | 943.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C(C(OC78CC6(C5(CCC4C3(C)C)C)CO8)CC=C(C)C)(C)O)C)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| TCMBANKIN006636 | zizyberanalic acid | C30H46O4 | 470.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)O | |
| TCMBANKIN006754 | MLT | NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 | C4H6O5 | 134.09 | C(C(C(=O)O)O)C(=O)O |
| TCMBANKIN007261 | daechuine S3 | C34H53N5O6 | 627.8 g/mol | CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(C(C)CC)N(C)C)OC | |
| TCMBANKIN008084 | Daturic acid | 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid | C17H34O2Pb | 478 g/mol | CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
| TCMBANKIN008481 | Ruvoside | 3-[(5R,10R,14S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; ruvoside; AC1O3DXD | C30H46O9 | 550.68 | [HH].CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)O)OC)O |
| TCMBANKIN008561 | spinosin_qt | Flavocommelin_qt | C28H32O15 | 608.54 | |
| TCMBANKIN009747 | stepharine | AC1LH1T2; Stepharine; ZINC26787150; CHEMBL463957 | C18H19NO3 | 297.35 | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
| TCMBANKIN009751 | zizyberanal acid | ||||
| TCMBANKIN009900 | acylatedflavuone-C-glycoside Ⅰ | ||||
| TCMBANKIN010891 | ceanothenic acid | C29H42O4 | 454.6 g/mol | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C(=O)O)(CCC5C4(C=CC5(C)C)C)C)C(=O)O | |
| TCMBANKIN011166 | Mauritine D | mauritine D | C33H51N5O5 | 597.8 g/mol | CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C |
| TCMBANKIN012700 | coumestrol | NCIMech_000078; CCRIS 7311; A-Lactone; API0002121; Tox21_200032; MolPort-003-846-031; US8552057, 3; HMS3374A07; 3,9-Dihydroxy-6H-benzofuro[3,2-c]-[1]benzopyran-6-one; 6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-; Cumostrol; CHEBI:3908; C-16836; VZ31590; LS-35394; S00280; 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one; MFCD00016885; SMP2_000163; DSSTox_RID_76572; 27885_FLUKA; 6H-Benzofuro[3, 3,9-dihydroxy-; 5-19-06-00405 (Beilstein Handbook Reference); BRN 0266702; 479-13-0; NSC22842; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone; C10205; 3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one; AC1NQYXV; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI); NCGC00018124-01; DSSTox_CID_2399; CTK8F8799; Coumestrol, >=95.0% (HPLC); NCI60_001863; 4CN-2508; ZZIALNLLNHEQPJ-UHFFFAOYSA-N; BIDD:ER0114; NCGC00018124-03; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one #; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-; A1-00298; NSC 22842; 3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one; CCG-35536; NCGC00018124-06; 3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one; ZINC1219; NCGC00257586-01; 3,9-Dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one; AIDS011954; SCHEMBL22012; UNII-V7NW98OB34; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-; MLS000069446; CCG-36200; LMPK12090018; 3-Benzofurancarboxylic acid,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 7,12-Dihydroxycoumestan; CS-6343; D02DML; CHEMBL30707; 3,9-dihydroxy-6-benzofurano[3,2-c]chromenone; ZINC00001219; 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one; Oprea1_222511; MLS000738006; EINECS 207-525-6; 3,9-Dihydroxycoumestan; Coumestrol, BioReagent, suitable for fluorescence, >=97.5% (HPLC); A827386; DTXSID6022399; CAS-479-13-0; FT-0603177; ST50320052; 2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic Acid ; 3,9-dihydroxybenzofurano[3,2-c]chromen-6-one; 3,9-dihydroxybenzo[d]chromeno[4,3-b]furan-6-one; NCGC00023462-03; AIDS-011954; V0359; Cumoestrol; DSSTox_GSID_22399; Cumoesterol; NCGC00018124-05; Coumestrol; NCGC00018124-04; V7NW98OB34; ZB000278; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one; ST5320052; AN-6463; Cumestrol; NCGC00023462-04; NCGC00018124-02; CC-25990; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihdyroxy-; NSC-22842; 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one; AKOS028111776; HMS2235B05; Coumesterol; COUMESTROL; BDBM23451; SMR000059001; HY-N2335; 27883_FLUKA | C15H8O5 | 268.22 | C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O |
| TCMBANKIN013261 | ceanothic acid | NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid; (1R,2R,5S,8R,14R,15R,16S)-16-HYDROXY-1,2,14,17,17-PENTAMETHYL-8-(PROP-1-EN-2-YL)PENTACYCLO[11.7.0.0(2),(1)?.0?,?.0(1)?,(1)?]ICOSANE-5,15-DICARBOXYLIC ACID; ACon0_000328; ACon1_000054; MolPort-001-741-019; ceanothicacid; NCGC00168838-01; NP-002508; MEGxp0_000866 | C30H46O5 | 486.68 | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O |
| TCMBANKIN013706 | 6,8-di-C-glucsoyl-2(s)-naringenin | ||||
| TCMBANKIN014161 | Protoporphyrin | 553-12-8 (FREE ACID); NSC2632 (FREE ACID); protoporphyrin; Ferrocytochrome; PROTOPORPHYRIN (PP); Ferrocytochrome b-561 | C34H34N4O4 | 562.66 | CC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)C=C)C.[Fe+2] |
| TCMBANKIN014276 | Adouetine X | 19542-37-1; (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-dimethylamino-4-methyl-pentanamide; C09993; (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-dimethylamino-4-methylpentanamide; adouetine x; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-diketo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-valeramide; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-pentanamide; (2S)-2-dimethylamino-N-[(3S,4S,7S,10Z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methylpentanamide | C28H44N4O4 | 500.67 | CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C)C(C)C |
| TCMBANKIN014350 | Tar | 95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 | C4H6O6 | 150.09 | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN014385 | Jujuboside C_qt | Jujuboside A1_qt | C58H94O26 | 1207.35 | |
| TCMBANKIN014614 | jujuboside b | jujuboside B; DTXSID80670023; AKOS015965496; Jujuboside-B; JujubosideB; AN-40319; PUBCHEM_45358134; AC-20265 | C52H84O21 | 1045.2 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C(C5(CCC4C3(C)C)C)CC78C6C(CC(O7)(OC8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)O)O)O)O)O)O |
| TCMBANKIN014857 | sederone | ||||
| TCMBANKIN014986 | Liquidambaric acid | C30H46O3 | 454.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O | |
| TCMBANKIN015025 | amiphibine H | ||||
| TCMBANKIN015559 | 24-Dehydrocholesterol | 313-04-2; CHEBI:17737; D6513_SIGMA; Cholesta-5,24-dien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 5,24-Cholestadien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; C01802; 3beta-Hydroxy-5,24-cholestadiene; cholest-5,24-dien-3beta-ol; 3beta-cholesta-5,24-dien-3-ol; LMST01010016 | C27H44O | 384.64 | CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN015829 | Zizybeoside I | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(benzyloxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; C17564; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; Benzyl 2-O-beta-D-glucopyranosyl beta-D-glucopyranoside; 10-44-6; zizybeoside i; CHEBI:81187 | C19H28O11 | 432.4 g/mol | C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN015974 | Asimilobine | 6871-21-2; 125678-63-9; (+)-Asimilobine; 4H-Dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-, (R)-; CHEMBL389271; asimilobine | C17H17NO2 | 267.32 | COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)O |
| TCMBANKIN016711 | epiceanothic acid | C30H46O5 | 486.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O | |
| TCMBANKIN016720 | malkangunin | C24H32O7 | 432.51 | CC1CCC(C2(C13CC(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)CO)O | |
| TCMBANKIN016847 | Sylvestrene | 499-03-6; 1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE; 1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-; 1-methyl-3-(1-methylethenyl)cyclohexene; 3-Isopropenyl-1-methylcyclohexene; m-Mentha-1,8-diene, (.+/-.)-; A23140; 1-methyl-3-prop-1-en-2-ylcyclohexene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-; AC1Q2A53; Carvestren; m-Mentha-1,8-diene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-; UXZIDIYMFIBDKT-UHFFFAOYSA-N; Carvestrene; sylvestrene; (+-)-Isosylvestrene; AC1L1V0T; 38738-60-2; 3-Isopropenyl-1-methyl-1-cyclohexene #; (+-)-m-Mentha-1,8-diene | C10H16 | 136.23 | CC1=CCCC(C1)C(=C)C |
| TCMBANKIN017030 | daechucyclopride Ⅰ | ||||
| TCMBANKIN018033 | daechunine S1 | ||||
| TCMBANKIN018600 | colubrinicacid | C30H46O4 | 470.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C=O)C)C)C(=O)O | |
| TCMBANKIN018862 | 3-O-trans-p-coumaroyl-alphitolic acid | ||||
| TCMBANKIN020071 | Uosolic Acid | C30H48O3 | 456.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN020133 | Vulgarin | Tauremizin; Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-; 34319-09-0; 3162-56-9; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-dione; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-quinone; Barrelin; Judaicin (sesquiterpene); MLS001185447; 3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3H,4H)-dione; ZINC03881676; 17237-80-8; C09600; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)-; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-; 1351-48-0; Tauremisin; Judaicin; SMR000445685; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydronaphtho[6,5-d]furan-2,6-dione; 5091-07-6; MLS000728573; STK013739 | C15H20O4 | 264.32 | CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C |
| TCMBANKIN020189 | dihydroalpitolic acid methyl ester | ||||
| TCMBANKIN020588 | procurcumenol | Epiprocurcumenol | C15H22O2 | 234.33 | CC1=CC(=O)C(=C(C)C)CC2C1CCC2(C)O |
| TCMBANKIN021312 | N-(2'-hydroxytetraeosanol)-2-amino-8-octadecene-1,3,4-triol | 682.26 | |||
| TCMBANKIN022351 | 3β,6β- Stigmast- 4-ene- 3,6- diol | ||||
| TCMBANKIN022387 | Daechuine S6 | 548.75 | |||
| TCMBANKIN022526 | N-nornuciforine | ||||
| TCMBANKIN022606 | 21302-79-4 | A(1)-Norlup-20(29)-en-28-oic acid, 2-carboxy-3-hydroxy-, (2alpha,3beta)- | C30H46O5 | 486.68 | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O |
| TCMBANKIN022694 | Ziziphin_qt | Jujuboside_qt; Colubrinoside_qt | C52H84O21 | 1045.21 | |
| TCMBANKIN022702 | jujubasaponin IV_qt | C48H78O18 | 943.12 | ||
| TCMBANKIN022816 | daechunine S7 | ||||
| TCMBANKIN023180 | Spiradine A | spiradine a | C20H25NO2 | 311.42 | CC12CCCC34C1C5(CC67C3C(=O)C(CC6C4N5C2)C(=C)C7)O |
| TCMBANKIN023533 | Daechuine S26 | 534.72 | |||
| TCMBANKIN023629 | 3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid | 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid; Prestwick1_000472; SPBio_002543; Prestwick0_000472; 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid; Prestwick2_000472; 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid | C9H17NO5 | 219.24 | CC(C)(CO)C(C(=O)NCCC(=O)O)O |
| TCMBANKIN023676 | tetracosanoic acid | tetracosoate; tetracosanate; tetraeicosanoate; AC1NUU2A; 46927-71-3; tetracosanoate; n-tetracosanoate; DTXSID80420121; lignocerate; Lignocerat; CHEBI:31014; Tetracosanoat; CH3-[CH2]22-COO(-) | C24H47O2- | 367.6 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| TCMBANKIN024352 | jubanine B | C43H47N5O6 | 729.9 g/mol | CN(C)C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCC4C3C(=O)NC(C(=O)NC=CC5=C(C=CC(=C5)O4)OC)CC6=CC=CC=C6 | |
| TCMBANKIN024937 | 6'''-p-coumaroylspinosin | C38H40O17 | CC1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)O)C(=C1C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O)O)O | ||
| TCMBANKIN025505 | tartaric acid | tartaricacid; LS-188035 | C4H6O6 | 150.09 g/mol | C(C(C(=O)O)O)(C(=O)O)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 |
| TCMBANKIN025687 | Thiamine | (Riboflavin); thiamine; thiamine chloride; vitamin b1 | C12H18Cl2N4OS | 337.3 g/mol | [H+].CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-].[Cl-] |
| TCMBANKIN025742 | daechunine S26 | ||||
| TCMBANKIN026080 | zizybeoside II | zizybeoside ii | C25H38O16 | 594.56 | C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN026210 | (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-keto-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | C30H46O3 | 454.68 | |
| TCMBANKIN027152 | (3S,6R,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol | (3S,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol; (3S,6R,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol; (3S,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol | 430.79 | ||
| TCMBANKIN028287 | zizyvoside Ⅰ | ||||
| TCMBANKIN028735 | vitamin b12 | C63H88CoN14O14P | 1355.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] | |
| TCMBANKIN028887 | Jujubogenin | jujubogenin | C30H48O4 | 472.7 | CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)O)C)(C)O)C |
| TCMBANKIN028905 | nummularine A | C36H49N5O6 | 647.8 g/mol | CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC)OC | |
| TCMBANKIN029874 | Zizybeoside Ⅱ | ||||
| TCMBANKIN030271 | Jujuboside C | jujuboside c | C59H96O27 | 1237.38 | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O |
| TCMBANKIN030285 | vitamin b5 | 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate; PANTOTHENIC ACID(d) Na salt; CHEBI:29032; GHOKWGTUZJEAQD-ZETCQYMHSA-M; CJ-15891; pantothenate; 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate; 137-08-6; AB00375056_03; 20938-62-9; N-[(R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-beta-alanine anion; NCGC00183031-01; AC1Q5P1E; CTK1A3579; (+)-Pantothenate; AC1L50WB; 3bex; (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-); beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-; (R)-pantothenate | C9H16NO5- | 218.23 g/mol | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O |
| TCMBANKIN030336 | Jujubasaponin V_qt | 472.78 | |||
| TCMBANKIN030494 | gqeieureulactene | ||||
| TCMBANKIN031136 | Leucinum | polyleucine; (S)-2-Amino-4-methylpentanoic acid; Leucine (H-3); 71000-80-1; 2-Amino-4-methylpentanoic acid (L); L-Norvaline, 4-methyl-; Leucina [Latin,Spanish]; NCI46709; L8912_SIGMA; (2S)-2-amino-4-methyl-pentanoic acid; L-Leucine, homopolymer; (14C)Leucine, L-; L-2-Amino-4-methylpentanoic acid; 2-Amino-4-methylvaleric acid (L); Leucine (USP); (2S)-2-amino-4-methylpentanoic acid; Leucine [USAN:INN]; InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s; FEMA No. 3297; Leucina [INN-Spanish]; L-Leucine, labeled with tritium; C00123; Leucine (VAN); l-(14C)Leucine; 21675-61-6; 25248-98-0; L8000_SIGMA; (S)-2-Amino-4-methylvaleric acid; NSC-46709; (3H)Leucine; (2S)-2-amino-4-methyl-valeric acid; L-Leucin; 2-Amino-4-methyl-valeric acid; W329703_ALDRICH; L-alpha-Aminoisocaproic acid; L6914_SIAL; NCIStruc1_001860; NCIStruc2_000010; (S)-2-Amino-4-methyl-pentanoic acid; L-Leuzin; NCGC00013565; 14C-Leucine; L-Leucine (JP15); Poly(L-leucine); (S)-Leucine; Valeric acid, 2-amino-4-methyl-, (S)-; L-Leucine, labeled with carbon-14; CHEBI:15603; NSC 46709; 72706_FLUKA; D00030; AI3-08899; Leucinum [INN-Latin]; 61819_FLUKA; 70-45-1; alpha-aminoisocaproic acid; EINECS 200-522-0; Leucin [German]; 2-Amino-4-methylpentanoic acid, (S)- | C6H13NO2 | 131.17 g/mol | CC(C)CC(C(=O)O)N |
| TCMBANKIN031194 | Ruvoside_qt | C30H46O9 | 550.68 | ||
| TCMBANKIN031360 | jubasaponin Ⅰ | ||||
| TCMBANKIN031644 | ziziphussaponin ii | ||||
| TCMBANKIN031790 | daechunine S10 | ||||
| TCMBANKIN032031 | curdione | MolPort-023-220-735; AK608306; Neocurdione; AKOS030573581; 13657-68-6; (3R,6E,10S)-3-ISOPROPYL-6,10-DIMETHYLCYCLODEC-6-ENE-1,4-DIONE; (3R,6E,10S)-6,10alpha-Dimethyl-3-isopropyl-6-cyclodecene-1,4-dione; ZINC100037270; Q-100139; BG00943803; Curdione; X1116; 108944-67-8; Germacr-1(10)-ene-5,8-dione; 657C686 | C15H24O2 | 236.35 | CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
| TCMBANKIN032314 | jujuboside A_qt | C58H94O26 | 1207.35 | ||
| TCMBANKIN032377 | ziziphussaponin iii | ||||
| TCMBANKIN033190 | (2-O-trans-p-coumaroyl-alphitolic acid | ||||
| TCMBANKIN033466 | zizyphus saponin I_qt | Zizyphus saponin III_qt; Zizyphus saponin II_qt | 472.78 | ||
| TCMBANKIN033715 | Jujubasaponin VI | jujubasaponin vi | C42H68O14 | 796.98 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C8(C(CC(O8)C(C)(C)O)OC79CC6(C5(CCC4C3(C)C)C)CO9)C)C)CO)O)O)O)O)O |
| TCMBANKIN033864 | daechunine S4 | ||||
| TCMBANKIN033942 | Zizyphine A | zizyphine a | C33H49N5O6 | 611.77 | CCC(C)C(C(=O)N1CCC2C1C(=O)N3CCCC3C(=O)NC=CC4=C(C=C(O2)C=C4)OC)NC(=O)C(C(C)CC)N(C)C |
| TCMBANKIN034228 | daechunine S27 | C32H41N5O6 | CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)NC | ||
| TCMBANKIN034552 | Daechuine S7 | 514.74 | |||
| TCMBANKIN034891 | GLO | Glucose (C-14); maltodextrin; 815-92-9; (C13)D-Glucose; D-(U-14C)Glucose; Glucose (C-13); aldehydo-D-gluco-hexose; CHEBI:42758; EINECS 224-118-9; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal; D-GLUCOSE IN LINEAR FORM; ZINC02043211; 28823-03-2; 9050-36-6; D-Glucose, labeled with carbon-14; aldehydo-D-glucose; D-Glucose, labeled with carbon-13; (U-14C)Glucose; D-Glucose, labeled with tritium; (14C)-Glucose; 19030-38-7; (14C)D-Glucose | C6H12O6 | 192.11 g/mol | C(C(C(C(C(C=O)O)O)O)O)O |
| TCMBANKIN035067 | Jujuboside | C52H84O21 | 1045.21 | ||
| TCMBANKIN035548 | jubanine D | ||||
| TCMBANKIN035838 | daechunine S5 | ||||
| TCMBANKIN036149 | Catharanthamine | catharanthamine | C46H56N4O9 | 808.96 | CCC12CC3CN(C1)CCC4=C(C(C3O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41 |
| TCMBANKIN036155 | Ziziphin | SCHEMBL350002; CHEBI:10120; 73667-51-3; AC1L9C02; ziziphin; C08991 | C51H80O18 | 981.17 | CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)OC9C(C(C(C(O9)C)O)OC(=O)C)OC(=O)C)C)O)O)O |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036485 | jubanine C | C39H47N5O5 | 665.8 g/mol | CCC(C)C(C(=O)N1CCCC1C(=O)NC2C(OC3=CC=C(C=C3)C=CNC(=O)C(NC2=O)CC4=CC=CC=C4)C5=CC=CC=C5)N(C)C | |
| TCMBANKIN036734 | Jujuboside A1 | jujuboside a1 | C58H94O26 | 1207.35 | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O |
| TCMBANKIN036815 | berberine | berberine ; isoquinoline alkaloid | C20H18NO4 | 337 | C12=N(C([H])([H])C([H])([H])c(c([H])c(OC([H])([H])O3)c3c4[H])c14)C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C5[H])C5=C2[H] |
| 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-] |
| TCMBANKIN036897 | curcumol | Curcumol | C15H24O2 | 236.35 | CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| 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] |
| TCMBANKIN037761 | Betulonic acid | Lup-20(29)-en-28-oic acid, 3-oxo-; betulonicacid; 3-Deoxy-3-oxo-betulinic acid; 4481-62-3; betulonic acid; (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid; AIDS-051817; AIDS051817; 3-Oxolup-20(29)-en-28-oic acid | C30H46O3 | 454.68 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O |
| TCMBANKIN039868 | isocurcumenol | isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol | C15H22O2 | 234.334 | [C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
| TCMBANKIN040683 | Zizyphus saponin II | zizyphus saponin ii; zizyphussaponin ii | C47H76O18 | 929.23 | C(=C([H])/[C@]1([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@]2([H])[C@]3(C([H])([H])[C@@](C([H])([H])O3)([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@@]([ H])(O[C@@]4([H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])C(O[H])(O[H])[C@]([H])(C([H])([H])[H])O5)[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H]) O[H])O6)[C@@]([H])(O[H])C([H])([H])O4)C([H])([H])C7([H])[H])[C@]78C([H])([H])[H])[C@@]8([H])C([H])([H])C9([H])[H])[C@@]29[H])O1)(/C([H])([H])[H])\C([H])([H])[H] |
| TCMBANKIN040731 | Zizyvoside I | zizyvoside i | 532.58 | ||
| TCMBANKIN041051 | neocurdione | Neocurdione; (6E)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; 3-Isopropyl-6,10-dimethyl-6-cyclodecene-1,4-dione #; KDPFMRXIVDLQKX-IZZDOVSWSA-N; AC1NSU0Y | C15H24O2 | 236.35 g/mol | CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
| 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 |
| TCMBANKIN041412 | Zizyphus saponin I | zizyphussaponin i; zizyphus saponin i | C47H76O17 | 913.23 | C(=C([H])/[C@]1([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@]2([H])[C@]3(C([H])([H])[C@@](C([H])([H])O3)([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@@]([ H])(O[C@@]4([H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])O5)[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H ])O[H])O6)[C@@]([H])(O[H])C([H])([H])O4)C([H])([H])C7([H])[H])[C@]78C([H])([H])[H])[C@@]8([H])C([H])([H])C9([H])[H])[C@@]29[H])O1)(/C([H])([H])[H])\C([H])([H])[H] |
| TCMBANKIN041901 | spinosin | (2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL (1S,4R,5R,9R,10S,13R)-13-{[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-5,9-DIMETHYL-14-METHYLIDENETETRACYCLO[11.2.1.0(1),(1)?.0?,?]HEXADECANE-5-CARBOXYLATE; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; 6-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; ZINC250859376; BG01794006; MolPort-006-131-346; SCHEMBL15521912; AKOS015840141; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 2''-O-beta-D-Glucopyranosylswertisin; 4H-1-Benzopyran-4-one, 6-(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; 72063-39-9; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Spinosin; 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one | C28H32O15 | 609 | [C@@]1([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]2([H])c3c(OC([H])([H])[H])c([H])c(OC(c4c([H])c([H])c(O[H])c([H])c4[H])=C([H])C5=O)c5c3O[H])[C@]([H])(O[H])[C@@]([ H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O1 |
| TCMBANKIN042839 | Darutoside | stigmasterol-beta-D-glucoside; Stigmasterol-beta-D-glucoside_qt; stigmasterol 3-O-beta-D-glucoside | C26H44O8 | 485 | C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])C(=C([H])[C@]([C@]([H])(C([H])([H])O[H])O[H])(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C3([H])[H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H] )[H])[C@]1([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H] |
| TCMBANKIN042906 | Ursonic acid | ursonicacid | 454.7 g/mol | ||
| TCMBANKIN043247 | Jujuboside B1 | 1045.2 g/mol | |||
| TCMBANKIN043270 | p-Coumaric acid | CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 | C9H8O3 | 164.158 | c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
| TCMBANKIN043783 | curzerene | Curzerene; BG01211968; 4,5,6,7-Tetrahydro-5-isopropenyl-3,6beta-dimethyl-6alpha-vinylbenzofuran; AC1NSU11; Y0061; (6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran; 17910-09-7 | C15H20O | 216.319 | C([H])([H])=C([H])[C@@]1(C([H])([H])[H])C([H])([H])c(oc([H])c2C([H])([H])[H])c2C([H])([H])[C@]1([H])C(C([H])([H])[H])=C([H])[H] |
| TCMBANKIN044029 | heptadecanoic acid | Heptadecanoate carnitine; Carnitine heptadecanoic acid; Heptadecanoylcarnitine; 3-carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-Propanaminium inner salt; CHEBI:131887; O-heptadecanoylcarnitine; LMFA07070067; 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate; Heptadecanoyl carnitine; C17 carnitine; Carnitine heptadecanoate; SCHEMBL19182624; Heptadecanoyl acid carnitine | C17H34O2 | 270.451 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])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(=O)O[H] |
| TCMBANKIN044134 | Scutianine C | scutianine c | C31H42N4O4 | 534.69 | CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC3=CC=CC=C3)C(C)C)N(C)C |
| TCMBANKIN045124 | zizyvoside II | zizyvoside ii | C31H50O18 | 710.72 | CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)(C)C |
| TCMBANKIN045310 | Daechualkaloid A | 2,4,5,6-tetrahydro-1H-cyclopenta[d][1,3]oxazin-7-one; daechualkaloid a; AC1NSU54; daechu alkaloid a | C10H13NO2 | 179.22 g/mol | C1CC2N(C1)C3=C(CCC3=O)CO2 |
| TCMBANKIN046411 | 6,8-di-c-methylluteolin 7-methyl ether | C18H16O6 | 328.3 g/mol | CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O | |
| TCMBANKIN046762 | jujubasaponin IV | jujubasaponin iv | C48H78O18 | 943.12 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C(C(OC78CC6(C5(CCC4C3(C)C)C)CO8)CC=C(C)C)(C)O)C)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| TCMBANKIN046944 | Zuztvisude I | zuztvisude i | C25H40O12 | 532.65 | C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@](\C([H])=C([H])\[C@](O[C@@]2([H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)[C@@]([H])(O[H])[C@]([ H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)([H])C([H])([H])[H])(O[H])C(C([H])([H])[H])=C([H])C1=O |
| TCMBANKIN049896 | 2alpha,3beta-Dihydroxyurs-12,19-dien-23,28-oic acid | 2α,3β-dihydroxyurs-12,19-dien-23,28-oicacid | C30H44O6 | [C@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C(C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])[C@@]2([H])C(O[H])=O)[C@@]2([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(=O)O[H])(C([H])([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057923 | glycin | Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY | C2H5NO2 | 75.07 g/mol | C(C(=O)O)N |
| TCMBANKIN057949 | sucrose | Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose | C12H22O11 | 342.3 g/mol | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| TCMBANKIN058000 | zizyphusine | (r)-zizyphusine | C20H24NO4+ | 342.4 g/mol | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)O)C |
| 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 |
| TCMBANKIN058061 | quebracho | Quebracho extract; W304204_ALDRICH; AIDS020846; Gallotannin; 96311_FLUKA; beta-D-Glucose pentakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate); .Beta.-D-glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]; Tannin; EINECS 226-562-9; 5424-20-4; Gallotannic acid; CHEMBL1159467; 403040_SIAL; Tannin (Tannic acid); AIDS-020846; 16201_RIEDEL; T0200_SIAL; gallotannic acid; tannin | C76H52O46 | 1701.2 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O |
| TCMBANKIN058288 | catechol | 430749_ALDRICH; Catechin (phenol); Pyrokatechin [Czech]; NCGC00015283-01; Catechol-UL-14C; NCI-C55856; CI Oxidation Base 26; CHEBI:18135; benzene-1,2-diol; C15571; 120-80-9; InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8; C9510_SIAL; Fouramine PCH; 135011_SIAL; Lopac-C-9510; 2-hydroxyphenol; NSC 1573; NCGC00091262-01; Fourrine 68; o-Diphenol; C.I. Oxidation Base 26; o-Dioxybenzene; C00090; ST5214346; (1,2,3,4,5,6-(1)?C?)BENZENE-1,2-DIOL; AB-131/40235236; Lopac0_000280; ortho-Benzenediol; Catechol (phenol); ortho-Hydroquinone; ZINC00330145; 16474-90-1; pyrocatechol; benzenediol; Brenzcatechin; 12385-08-9; C01785; EINECS 204-427-5; EU-0100280; nchembio801-comp10; o-Dihydroxybenzene; Durafur Developer CFouramine PCH; o-Hydroxyphenol; Phthalhydroquinone; 16474-89-8; Catechol-pyrocatechol; CCRIS 741; ACM19481108; AI3-03995; Pyrocatechinic acid; CI 76500; Durafur developer C; o-Phenylenediol; 1,2-dihydroxybenzene; ortho-Hydroxyphenol; Oxyphenic acid; BRN 0471401; c0097; pyrocatechol-ul-14C; CAQ; 37349-32-9; ortho-Dihydroxybenzene; AIDS-108194; C3561_SIAL; o-Benzenediol; ortho-Dioxybenzene; Katechol [Czech]; Pelagol Grey C; Pyrokatechol [Czech]; AIDS108194; Pyrocatechinic acidPyrocatechol; WLN: QR BQ; Pyrocatechine; 1,2-benzenediol; o-Hydroquinone; CATECHOL; Benzene, o-dihydroxy-; pyrocatechin; ortho-Phenylenediol; HSDB 1436; C9593_SIGMA; NSC1573; C.I. 76500;pyrocatechol;o-hydroquinone;o-phenylenediol;1,2-benzenediol | C6H6O2 | 110.11 g/mol | C1=CC=C(C(=C1)O)O |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058374 | Indolyl acetic acid | 3-indolylaceticacid;Indole acetic acid;IES;heteroauxin;1H-Indole-3-acetic acid (9CI); beta-Indoleacetic acid; 54692-39-6; I8262_SIGMA; CHEBI:16411; 87-51-4; 1H-indol-3-ylacetic acid; CCRIS 1014; Heteroauxin; InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13; 1H-Indole-3-acetic-a-t acid (9CI); EPA Pesticide Chemical Code 128915; EU-0099905; Indole-3-acetic acid-carboxy-14C; Acetic acid, indolyl-; beta-Indolylacetic acid; I3750_ALDRICH; omega-Skatole carboxylic acid; 2-(1H-Indol-3-yl)acetic acid; .beta.-Indole-3-acetic acid; MLS001066408; I2886_SIGMA; C00954; Hexteroauxin; .beta.-Indolylacetic acid; Indol-3-ylacetic acid; Rhizopin; Indole-3-acetic acid (8CI); [3H]-IAA; NSC 3787; Indole-3-acetic-t acid; WLN: T56 BMJ D1VQ; 3-(Carboxymethyl)indole; .alpha.-Indol-3-yl-acetic acid; 45533_RIEDEL; (1H-Indol-3-yl)acetic acid; ST5308201; .omega.-Skatole carboxylic acid; Maybridge1_006755; IAA; SDCCGMLS-0066204.P001; beta-IAA; Indoleacetic acid (VAN); 3-IAA; 3-Indolylacetic acid; 6305-45-9; Indolyl-3-acetic acid; 3-Indolylessigsaeure; Oprea1_602123; indole-3-acetic acid; IAC; Rhizopon A; Kyselina 3-indolyloctova [Czech]; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 1H-Indole-3-acetic acid; 3-Indolylmethylcarboxylic acid; .beta.-IAA; AIDS009893; SMR000471855; SR-01000596909-2; EINECS 201-748-2; 2-(1H-indol-3-yl)ethanoic acid; alpha-IAA; Heteroauxinhexteroauxiniaa; .alpha.-IAA; indoleacetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indoleacetic acid; NSC3787; .beta.-Indoleacetic acid; AIDS-009893; AI3-24131 | C10H9NO2 | 175.18 g/mol | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
| TCMBANKIN058557 | camp | CMP; 3'-5'-cyclic adenosine monophosphate; SCHEMBL1264; ZINC12502232; Cyclic adenylic acid; BRN 0052645; Adenosine cyclic monophosphate; 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, adenosine deriv.; C00575; (4aR,6R,7R,7aS)-6-(6-Aminopurin-9-yl)-2-oxo-tetrahydro-2-lambda*5*-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol; cyclic 3',5'-Adenylic acid; Adenosine-3',5'-cyclicmonophosphate; Adenosine 3′,5′-cyclic monophosphate; Cyclic AMP; EINECS 200-492-9; NSC 94017; Adenosine 3',5'-cyclic phosphate; Adenosine 3',5'-cyclophosphoric acid; Adenosine cyclic 3',5'-monophosphate; CHEBI:17489; 3′,5′-Cyclic AMP; ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE; Adenosine 3′,5′-cyclophosphate; Adenosine 3',5'-cyclophosphate; ST5298854; 11002-78-1; Adenosine 3',5'-cyclic monophosphate; Adenosine cyclic 3',5'-(hydrogen phosphate); 54532-48-8; 4-26-00-03618 (Beilstein Handbook Reference); adenosine 3',5'-(hydrogen phosphate); cyclic Adenosine 3',5'-phosphate; cyclic Adenosine 3',5'-monophosphate; (S)-1-C-(7-Amino-1H-pyrazolo(4,3-d)pyrimidine-3-yl)-1,4-anhydro-D-ribitol cyclic 3',5'-(hydrogen phosphate); AIDS008698; CCRIS 4291; 4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)-; Adenosine 3',5'-monophosphate; Formycin cyclic 3',5'-monophosphate; (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol; Adenosine 3',5'-phosphate; Adenosine, cyclic 3',5'-(hydrogen phosphate); A9501_SIGMA; (1S,6R,8R,9R)-8-(6-amino-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol; CYCLIC-3',5'-(HYDROGEN PHOSPHATE)ADENOSINE; Lopac0_000084; D-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidine-3-yl)-1,4-anhydro-, cyclic 3',5'-(hydrogen phosphate), (S)-; 3',5'-AMP; (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol; Adenosine 3',5'-phosphate monohydrate; Adenosine cyclic 3',5'-phosphate; AIDS-008698; EU-0100084 | C10H12N5O6P | 329.21 g/mol | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O |
| TCMBANKIN058586 | Prolinum | (-)-Proline (S)-2-Carboxypyrrolidine; 18875-45-1; (2S)-2-pyrrolidinecarboxylic acid; P5607_SIGMA; L-Proline-15N; AIDS018625; 4305-67-3; L-Proline, labeled with carbon-14; L-Proline (JAN); L-(-)-Proline; CHEBI:17203; 37159-97-0; Carboxypyrrolidine; P0380_SIAL; (-)-(S)-Proline; Proline (USP); D00035; NCGC00014017; W331902_ALDRICH; (2S)-pyrrolidine-2-carboxylic acid; (S)-pyrrolidine-2-carboxylic acid; L-Prolin; NSC-97923; P8865_SIAL; nchembio816-comp9; AIDS-018625; L-(2,3-3H)Proline; C00148; 4607-28-7; 81710_FLUKA; (2S)-proline; 608998_ALDRICH; 81709_FLUKA; proline | C5H9NO2 | 115.13 g/mol | C1CC(NC1)C(=O)O |
| TCMBANKIN058701 | alphitotic acid | Alphitolic acid; alphitolic acid; 2α,3β-dihydroxyl-lup-20(29)-en-28(19)-lactone; 2α,3α-dihydroxylup-20(29)-en-28-oicacid; alphitolicacid; NCGC00169506-02_C30H48O4_(2alpha,3beta,5xi,9xi,13xi,18xi)-2,3-Dihydroxylup-20(29)-en-28-oic acid | C30H48O4 | 472.7 | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O |
| TCMBANKIN058702 | 3-o-(trans-p-coumaroyl)-maslinicacid | 3-o-(trans-p-coumaroyl)-alphitolicacid; 3-o-(cis-p-coumaroyl)-alphitolicacid; 3-o-(cis-p-coumaroyl)-maslinicacid | C39H54O6 | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C(=O)O | |
| TCMBANKIN058703 | Betulonic acid | Lup-20(29)-en-28-oic acid, 3-oxo-; betulonicacid; 3-Deoxy-3-oxo-betulinic acid; 4481-62-3; betulonic acid; (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid; AIDS-051817; AIDS051817; 3-Oxolup-20(29)-en-28-oic acid;Liquidambaric acid | C30H46O3 | 454.68 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=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 |
| TCMBANKIN058706 | betulin | AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol | C30H50O2 | 442.7g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| TCMBANKIN059243 | Daechuine S8-1 | daechunine S8-1 | C34H53N5O6 | 627.8 g/mol | CC(C)CC1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C)OC |
| TCMBANKIN059293 | 3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone;Zizyphus saponin III | zizyphus saponin iii; zizyphussaponin iii | C10H10O4 | 1045.36 | CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O |
| 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 | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059605 | 2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid | C30H48O4 | 472.7 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059607 | 3-o-cis-coumaroyl maslinic acid | C39H54O6 | 618.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059612 | 3-oxo-olean-12-en-28-oicacid | C30H46O3 | 454.7 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059884 | blumenol a | C13H20O3 | 224.3 g/mol | CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C | |
| TCMBANKIN059885 | (6s,9r)-roseoside | C19H30O8 | 386.4 g/mol | CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C | |
| TCMBANKIN059947 | vitamin b1 | C63H88CoN14O14P | 1356.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] | |
| TCMBANKIN059948 | Vitamin- G | C17H20N4O6 | 376.36 | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN060050 | curzerenone | C15H18O2 | 230.3 g/mol | CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C | |
| TCMBANKIN060147 | 1-(p-coumaroyl)-alpha-l-rhamnopyranose | C15H18O7 | 310.3 | CC1C(C(C(C(O1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)O | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060532 | corosolic acid | C30H48O4 | 472.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060545 | Uosolic Acid | C30H48O3 | 456.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060584 | 4-Epi-curcumenol | C15H22O2 | 234.33 g/mol | CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O | |
| TCMBANKIN060648 | daechunine S2 | C28H44N4O4 | 500.7 g/mol | CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)C=CNC(=O)C(NC1=O)CC(C)C)C(C)C)N(C)C | |
| TCMBANKIN060654 | daechunine S3 | C34H53N5O6 | 627.8 g/mol | CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)CC)NC(=O)C(C(C)CC)N(C)C)OC | |
| TCMBANKIN060655 | jubanine A | C40H49N5O6 | 695.8 g/mol | CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C)OC | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060680 | stigmasterol-3-glucoside | C35H58O6 | 574.83 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)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 | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060914 | 11-Octadecenoic acid | C18H34O2 | 282.5 g/mol | CCCCCCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060963 | triolein | C57H104O6 | 885.4 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC | |
| TCMBANKIN060973 | malic acid | C18H32O2 | 280.4 g/mol | CCCCCCCCC1=C(C1)CCCCCCC(=O)O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061034 | trimyristin | C45H86O6 | 723.2 g/mol | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061125 | gynuramide Ⅳ;(2S,3S,4R,8E)-2-[(2′R)-2′-hydroxy-tetracosanoyl]-8-octadecene-1,3,4-triol | C42H83NO5 | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCC=CCCCCCCCCC)O)O)O | ||
| TCMBANKIN061128 | n-tetracosanoic acid | C24H48O2 | 368.64 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061341 | nuciferine | AC1MP6HA; Nuciferine; (R)-1,2-Dimethoxyaporphine; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-; AIDS189198; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI); l-5,6-Dimethoxyaporphine; AIDS-189198; 6a-beta-APORPHINE, 1,2-DIMETHOXY-; l-Nuciferine; Sanjoinine E; 475-83-2; (-)-Nucipherine; Nuciferin | C19H21NO2 | 295.4 g/mol | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
| TCMBANKIN061354 | Fumarine | C05189; TNP00339; 7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one; ST036759; Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-; HSCI1_000268; EINECS 204-999-6; AIDS-040935; Corydinine; 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one; Oprea1_722246; NCGC00142402-01; Biflorine; Macleyine; 130-86-9; NCGC00017389-01; 7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-; Alk-3; 6164-47-2 (HCL); Oprea1_718853; AIDS040935; 7-Methyl-2,3:9,10-bis(methylenedioxy)-7,13a-secoberbin-13a-one; HSDB 3527; CHEBI:16415; AI3-62909; ACon1_001550; DTXSID00178935; Bis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; Bis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one,5,7,8,15-tetrahydro-6-methyl-; AC1L4H3I; CHEMBL486179; 14-METHYL-7,9,20,22-TETRAOXA-14-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(3)]TETRACOSA-1(24),4,6(10),11,17,19(23)-HEXAEN-2-ONE; CTK4F3162; MCULE-2865552640; BDBM50377937; 24240-05-9; AC1Q6P91; NCGC00385257-01_C20H19NO5_1,3-Benzodioxolo[5,6-c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 5,7,8,15-tetrahydro-6-methyl-; C20H19NO5; protopine ; Pseudoprotopine; MolPort-028-610-216; 6-methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6h)-one; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-; ZINC31502517; protopine | C20H19NO5 | 353.37 | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
| TCMBANKIN061414 | 6''-o-p-cis-coumaroylgenipin gentiobioside | (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran; 6''-O-p-Coumaroylgenipingentiobioside; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic ac; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyr | C32H40O17 | 696.6 g/mol | COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O |
| TCMBANKIN061446 | swertisin | LMPK12110972; 7-O-Methylapigenin 6-C-beta-D-glucopyranoside; SCHEMBL2778667; 6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone; 3-hydroxy-4-methoxy-phenylmethol-O-β-D-glucopyranosyl-(1→6 )-β-D-glucopyranoside | C22H22O10 | 446.4 g/mol | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN061528 | scopoletin | NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol | C10H8O4 | 192.17 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| TCMBANKIN061555 | l-SPD | (-)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; GTPL8370; 0UPX3E69W8; Q-100198; KB-211381; (13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol; 16562-13-3; l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine; stepholidine; AJ-80945; ST24036048; 6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI); FT-0628017; CS-1253; (S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol; DIB014; BDBM50378584; AK-60162; S-Stepholidine; UNII-0UPX3E69W8; D0L7OM; 3,9-Dimethoxy-13a-alpha-berbine-2,10-diol; 13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-; ANW-61130; A-Berbine-2,10-diol; X1178; BG01616132; AX8032195; 3,9-Dimethoxy-13a; ZINC22066528; CTK8B8727; L-(S)-Stepholidine; (13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol; SCHEMBL10001966; W-5088; CHEMBL487387; (-)-Stepholidine; HY-17415; 6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-; l-Stepholidine; MolPort-020-005-719; AC1OCEV4; TR-007130; l-SPD | C19H21NO4 | 327.37 | COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O |
| TCMBANKIN061570 | curcumin | (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; C10443; BSPBio_003590; NCGC00095321-01; Curcumin; KBio3_003004; InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13; curcumin ; diferuloylmethane; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; Kacha haldi; (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; ZINC00899824; 458-37-7; SDCCGMLS-0066836.P001; SCHEMBL2622435; Spectrum3_001990; DivK1c_006683; KBio1_001627; SpecPlus_000587; SPBio_001728; Spectrum2_001714; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; NSC32982; Turmeric oleoresin (79%-85% curcumin); Yellow Root; Halad; Diferaloylmethane; kachs haldi; safra d'inde; Curcumin, 95% (total curcuminoid content), from Turmeric rhizome; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; GTPL7000; Turmeric, oleoresin; CI 75300; MFCD00008365; curcuma longa l. root oil hydrodistilled; DSSTox_CID_1421; NSC-687842; C21H20O6; Merita earth; NCGC00017159-11; 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; NCGC00017159-06; I06-2497; BDBM50140172; I14-19358; MLS001148449; LS-125; NCGC00023332-04; SCHEMBL8441; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; BIDD:ER0479; 458-37-7; Turmeric root oil; Tox21_111505; BDBM50067040; 1790-EP2308861A1; Safran d'Inde; Turmeric oil (Curcuma longa L.); NSC 687842; Tumeric yellow; NCGC00017159-05; Curcuma oil; (1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione; 2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-; EINECS 207-280-5; 15845-47-3; E 100; Curcuma longa l. oleoresin; Curcuma longa l. root oleoresin; SR-01000000149-2; NCGC00017159-10; D0H8LC; HMS3649K06; Turmeric oleoresin; Orange Root; Curcumin (Natural); Indian saffron; Curcumin, United States Pharmacopeia (USP) Reference Standard; NCGC00017159-07; CCG-36107; Curcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatization; 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcurmin; 1,5-Di(vanillyliden)acetylaceton; I06-0010; Natural yellow 3; SMR000058237; cid_969516; Zlut prirodni 3; CHEMBL140; CAS-458-37-7; Curcumin, analytical standard; BG0601; ZX-AT003872; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #; BCP9000557; Yellow puccoon; Tumeric oleoresin; DB11672; 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione; BG00706978; NSC687842; AC1LJ6T6; SCHEMBL8440; SR-01000000149; Tox21_201116; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; J10108; C.I. Natural Yellow 3; (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcumin (synthetic); BIC8500; NCGC00017159-09; CCRIS 5804; NCGC00023332-05; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; W-5038; 1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-3; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-; FEMA No. 3086; 1790-EP2305629A1; BB_NC-01422; BC678109; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-; WLN: 1OR BQ E1U1V1V1U1R DQ CO1; Yellow Ginger; Diferuloylmethane; BRN 2306965; Bio-0677; AC1Q46A0; 98% curcurmin); cid_5281767; ZINC899824; Oils, galangal; 33171-04-9; (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; curcuma longa l. root oil CO2 extract; Gelbwurz; OR24598; Oil of turmeric; Curcuma oil (Curcuma longa); MLS000069631; 1,5-Divanillyliden-2,4-pentandion; BDBM29532; 1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione; UNII-IT942ZTH98; Yellow, Turmeric; BCP0726000035; Tox21_110803; KB-251224; CU-01000001305-2; Turmeric oil; HMS2233K04; D07SDQ; ST055629; Curcumin, primary pharmaceutical reference standard; CCG-36020; BRD-K07572174-001-19-6; MolPort-001-763-682; DSSTox_GSID_31077; DSSTox_RID_78861; Turmeric; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; NSC-32982; Kacha haldi; HY-N0005; Kurkumin [Czech]; Haldar; PREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J)); (1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; Turmeric (>98% curcurmin); GP8291; M212; Zlut prirodni 3 [Czech]; VFLDPWHFBUODDF-FCXRPNKRSA-N; LS-2189; Turmeric yellow; Turmeric extract (Curcuma longa L.); Curcumin; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; TR-032605; Curcuma longa l. root oil; FEMA No. 3085; curouma; Tu rmeric root oil; Opera_ID_1627; AC-24238; 73729-23-4; Halud; 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; RTR-032605; Yo-Kin; NCGC00023332-03; trans,trans-Curcumin; Curcuma longa l. oil; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-; IT942ZTH98; (E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; diferuloylmethan; cMAP_000052; N1839; 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; BG01656528; Curcuma; CCRIS 3257; Diferulylmethane; Curcumin, >=94% (curcuminoid content), >=80% (Curcumin); NCGC00017159-04; SC-17381; BRD-K07572174-001-22-0; turmeric root oil hydrodistilled; Oils, curcuma; 458C377; Hydrastis; AK316302; Haldar, Souchet; Natural Yellow3; 4-08-00-03697 (Beilstein Handbook Reference); E 100 (Dye); 1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; CS-1490; Indian turmeric; (1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione); Kurkumin; Curcumin I; Souchet; (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; HSDB 4334; Haidr; NCI-C61325; BBL027711; Golden seal; SCHEMBL13521974; CC0179; 1,3-Di(3-methoxy-4-hydroxystyryl)propanedial; Terra Merita; NCGC00258668-01; SBB006495; Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC); STL371943; AN-23454; CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J)); 8024-37-1; Curcuma longa oils; 91884-86-5; AKOS001305497; BRD-K07572174-001-02-2; Turmeric extract; TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7)); CI Natural Yellow 3; Cucurmin; CHEBI:3962; DTXSID8031077; DB-002681; Curcumine; Turmeric root oleoresin; curcumin; turmeric root oil CO2 extract; Curcumin, from Curcuma longa (Turmeric), powder; NCGC00017159-12; 79257-48-0; C.I. 75300; 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione; NSC 32982; SR-01000000149-5, curcumine;curcumin | IC21H20O6 | 368.4 g/mol | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
| TCMBANKIN061574 | feruloyltyramine | n- cis-feruloyltyramine; NP-001984; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; NCGC00169550-01; N-Trans-Feruloyl Tyramine; Moupinamide, >=95% (LC/MS-ELSD); 66648-43-9; Alfrutamide; trans-N-Feruloyltyramine; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; N-Feruloyltyramine; ZINC901461; MEGxp0_000693; Feruloyltyramine; Moupinamide; BRD-K98045316-001-01-0; MolPort-001-740-847; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; MCULE-4768764740; n-trans-feruloyl-tyramine; W1092; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; ACon1_001233; N-trans-Feruloyltyramine; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; CHEMBL206555; 65646-26-6; n- trans-feruloyltyramine; N-Transferuloyl Tyramine; MFCD17214811; AKOS025287596; CHEBI:17818; C02717; AC1NQX6M; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; CHEBI:17818; 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS113439; (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (2,3)trans-N-(p-Hydroxyphenethyl)ferulamide; N-trans-Feruloyltyramine; C02717; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; 3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; N-Feruloyltyramine; 65646-26-6; (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; AIDS-113439; 66648-43-9; Feruloyltyramine; moupinamide; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-; ACon1_001233; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-phenyl)-ethyl]-acrylamide; MEGxp0_000693; 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-, (2Z)-; 80510-09-4; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide; (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide; Moupinamide; n-trans-feruloyltyramine; N-E-feruloyl tyramine; n-cis-feruloyltyramine | C18H19NO4 | 313.3 g/mol | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O |
| TCMBANKIN061675 | berberime | berberine ; isoquinoline alkaloid; berberine | C20H18NO4+ | 336.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| TCMBANKIN061680 | Oxonuciferine | oxonuciferine; Oxonuciferine; 1,2-Dimethoxy-7H-dibenzo[de,g]quinolin-7-one; (+)-ushinsunine-beta-N-oxide; 15444-20-9; AKOS028110808; 15,16-DIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9,11,13(17),14-OCTAEN-8-ONE; lysicamine; NSC 628003; DPBMWJXWUINLQT-UHFFFAOYSA-N; DTXSID00165628; UNII-6L30DD6R7O; AIDS008762; BRN 1486372; 7H-Dibenzo[de,g]quinolin-7-one, 1,2-dimethoxy-; 5-21-13-00382 (Beilstein Handbook Reference); 1,2-Dimethoxy-7H-dibenzo(de,g)quinolin-7-one; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-dimethoxy-; 7H-Dibenzo(de,g)quinolin-7-one, 1,2-dimethoxy-; MolPort-044-754-181; CHEBI:70650; D01RUH; AC1L3V30; NSC-628003; 6L30DD6R7O; NSC628003; 1,2-Dimethoxy-7H-dibenzo[de,g]quinolin-7-one #; BDBM50292452; LS-97036; 7H-Dibenzo(de,g)quinolin-7-one, 1,2-dimethoxy- (9CI); AIDS-008762; SCHEMBL2046474; CCRIS 3813; CHEMBL510090; Lysicamine | C18H13NO3 | 291.3 g/mol | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC |
| TCMBANKIN061681 | Nornuciferine;n-nornuciferine;daechualkoloid A;(s)-nornuciferine | NORAPORPHINE, 1,2-DIMETHOXY-; dl-Nornuciferine; 1,2-Dimethoxynoraporphine; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (+-)- (9CI); nornuciferine; 54750-04-8 | C18H19NO2 | 281.35 | COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC |
| TCMBANKIN061786 | elemicine | el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) | C12H16O3 | 208.25 g/mol | COC1=CC(=CC(=C1OC)OC)CC=C |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
植物对应的疾病
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植物对应的靶点
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