Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE007889 |
ID: | TCMBANKHE007889 |
功能与主治: | Lumbar and back pain, limp aching inability of legs and knees, hypertension. |
药用植物名: | 杜仲叶 |
药用部位: | leaf |
治疗类型: | 拔毒化腐生肌药 |
TCM_ID_id: | 5621 |
SymMap_id: | 115 |
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 |
|---|
| TCMBANKIN000070 | corynoxine b | ZINC14686818; SCHEMBL17531555; 17391-18-3 | C22H28N2O4 | 384.5 g/mol | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
| TCMBANKIN000327 | (+)-medioresinol-4-O-β-D-glucopyranoside | ||||
| TCMBANKIN000647 | kaempherol-3-O-sambubioside | ||||
| TCMBANKIN000922 | angustoline | SCHEMBL3130934; BRD-A66206989-001-01-4; AC1MJ374; 19-(1-HYDROXYETHYL)-3,13,17-TRIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-1(21),2(10),4,6,8,15(20),16,18-OCTAEN-14-ONE; 40041-95-0; ACon1_001552; Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 8,13-dihydro-1-(1-hydroxyethyl)-, (-)-; Angustoline | C20H17N3O2 | 331.4 g/mol | CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)O |
| TCMBANKIN001063 | Ethylcinnamate | (E)-3-phenylacrylic acid ethyl ester; AI3-00667; W243019_ALDRICH; Ethyl cinnamate (natural); 112372_ALDRICH; Ethyl 3-phenyl-2-propenoate; NSC6773; FEMA No. 2430; Ethyl (2E)-3-phenyl-2-propenoate; ?ethylcinnamate ; Ethylcinnamoate; ethyl cinnamate; ethylcinnamate; Ethyl cinnamate; InChI=1/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8; 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-; BRN 1238804; EINECS 203-104-6; AIDS224200; NSC 6773; 2-Propenoic acid, 3-phenyl-, ethyl ester; Ethyl trans-cinnamate; Ethyl 3-phenylpropenoate; Cinnamic acid, ethyl ester; ethyl (2E)-3-phenylacrylate; Ethyl benzylideneacetate; WLN: 2OV1U1R; 3-Phenyl-2-propenoic acid, ethyl ester; Ethyl 3-phenylacrylate; ethyl (E)-3-phenylprop-2-enoate; CINNAMIC ACID,ETHYL ESTER; Cinnamic acid ethyl ester; W243000_ALDRICH; ethyl 3-phenylprop-2-enoate; 96350_FLUKA; C06359; 3-Phenyl-acrylic acid, ethyl ester; Ethyl beta-phenylacrylate; AIDS-224200; (E)-3-phenylprop-2-enoic acid ethyl ester; ZINC00896133; 3-phenylacrylic acid ethyl ester; 103-36-6; 3-phenylprop-2-enoic acid ethyl ester | C11H12O2 | 176.21 | CCOC(=O)C=CC1=CC=CC=C1 |
| TCMBANKIN001799 | Scandoside methyl ester | (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09798; scandoside methyl ester; (1S,4aS,5R,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 27530-67-2; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; 7-(Hydroxymethyl)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5beta-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate | C17H24O11 | 404.37 | COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN001815 | trifolin | LMPK12111663; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Trifolin; C12626; MEGxp0_000499; Kaempferol 3-O-beta-D-galactoside; Kaempferol-3-O-galactoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; ACon1_000322; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one | C21H20O11 | 448.4 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN001977 | strictosamide | Strictosamide; strictosamide | C26H30N2O8 | 498.5 g/mol | C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4 |
| TCMBANKIN002028 | uncarinicacid c | C40H56O6 | 632.9 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)CC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O | |
| TCMBANKIN002097 | rhynchophine | C36H38N2O11 | COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C4CC5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O | ||
| TCMBANKIN002529 | pteroside a | AC1L54AR; 35910-15-7; Pteroside A; (S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-1H-inden-1-one; (2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one; 1H-Inden-1-one, 6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-2,5,7-trimethyl-, (S)- | C21H30O8 | 410.5 g/mol | CC1=CC2=C(C(=C1CCOC3C(C(C(C(O3)CO)O)O)O)C)C(=O)C(C2)(C)CO |
| TCMBANKIN002600 | liriodendrin_qt | 7'-epi-(-)-syringaresinol | C34H46O18 | 742.72 | |
| TCMBANKIN002929 | Eucommiol | (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)-1-cyclopent-3-enol; AC1L4C59; eucommiol; (1R,2R)-2-(2-hydroxyethyl)-3,4-dimethylol-cyclopent-3-en-1-ol; (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol; CHEBI:133889; 55930-44-4; SCHEMBL422795; C17878; DTXSID80204529; 1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)- | C9H16O4 | 188.22 | C1C(C(C(=C1CO)CO)CCO)O |
| TCMBANKIN004007 | cadambine | C27H32N2O10 | 544.5 g/mol | COC(=O)C1=COC(C2C1CC34C5=C(CCN3CC2O4)C6=CC=CC=C6N5)OC7C(C(C(C(O7)CO)O)O)O | |
| TCMBANKIN004570 | n-butyl-O-β-D-fruct opyranoside | n-butyl-O-β-D-fructopyranoside | 222.27 | ||
| TCMBANKIN005164 | (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | (2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol | 208.24 | ||
| TCMBANKIN005184 | pinoresinol-4-O-β-D-glucopyranoside | ||||
| TCMBANKIN005292 | uncarinicacid e | ||||
| TCMBANKIN005351 | (Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane | 192.33 | |||
| TCMBANKIN005493 | ziziphussaponin i | ||||
| TCMBANKIN005567 | dihydrocorynanatheine | ||||
| TCMBANKIN005800 | 4-hydroxycinnamic acid _qt | C9H8O3 | 164.16 | ||
| TCMBANKIN005952 | geniposidie acid_qt | Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt | C16H22O10 | 374.34 | |
| TCMBANKIN006143 | reptoside_qt | C17H26O10 | 390.38 | ||
| TCMBANKIN007105 | vallesiachotamine | 34384-71-9; 17-Isovallesiachotamine; CHEMBL449796; AC1O5XO1; MolPort-039-338-597; Isovallesiachotamine; 18,19-Seco-15beta-yohimban-19-oic acid, 16,17,20,21-tetradehydro-16-formyl-, methyl ester, (Z)-; methyl (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate; METHYL (2S,12BS)-2-[(2Z)-1-OXOBUT-2-EN-2-YL]-1H,2H,6H,7H,12H,12BH-INDOLO[2,3-A]QUINOLIZINE-3-CARBOXYLATE | C21H22N2O3 | 350.4 g/mol | CC=C(C=O)C1CC2C3=C(CCN2C=C1C(=O)OC)C4=CC=CC=C4N3 |
| TCMBANKIN007886 | Ajugoside | ajugoside | 390.43 | CC(=O)OC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)C | |
| TCMBANKIN007950 | (2R,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol | (2R,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; ZINC04073951; (2R,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; STOCK1N-50333 | 346.37 | ||
| TCMBANKIN008312 | ISOPULEGOL | 59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol | C10H18O | 154.25 | CC1CCC(C(C1)O)C(=C)C |
| TCMBANKIN009628 | uncarinicacid d | C40H56O6 | 632.9 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)CC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O | |
| TCMBANKIN009747 | stepharine | AC1LH1T2; Stepharine; ZINC26787150; CHEMBL463957 | C18H19NO3 | 297.35 | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
| TCMBANKIN009875 | corynantheine | AC1MHD3Z; Corynantheine; ZINC85909641; BRN 0096586; Hirsuteine; D09CKI; (16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester; 17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-; SCHEMBL3084853; MolPort-039-338-502; Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-; methyl (Z)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate; methyl (Z)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate; LS-144745 | C22H26N2O3 | 366.5 g/mol | COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
| TCMBANKIN010323 | 5,9-Tetradecadiyne | 51255-61-9; SBB008931; tetradeca-5,9-diyne | C14H22 | 190.32 | CCCCC#CCCC#CCCCC |
| TCMBANKIN010709 | quercetin-3-O-α-L-arabinopyranosyl-(1→2)-β-D-glucopyranoside | ||||
| TCMBANKIN011082 | cis-1,3-Dimethylcyclohexane | 638-04-0; (1R,3S)-1,3-dimethylcyclohexane; cyclohexane, 1,3-dimethyl-, (1R,3S)-; NSC74159; 1,cis-3-Dimethylcyclohexane; InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8; 118362_ALDRICH; Cyclohexane, 1,3-dimethyl-, cis- | C8H16 | 112.21 | CC1CCCC(C1)C |
| TCMBANKIN011836 | geissoschizin emethylether | ZINC33955640; 60314-89-8; AC1O5YCK; methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate; Geissoschizine methyl ether; geissoschizine methyl ether | C22H26N2O3 | 366.5 g/mol | CC=C1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
| TCMBANKIN011984 | Kaempferol- 3-O-α-L-rhamnose-(1→6)-β-D-glucoside | ||||
| TCMBANKIN012010 | isodihydronepetalactone | C10H16O2 | 168.23 g/mol | CC1CCC2C1C(=O)OCC2C | |
| TCMBANKIN012335 | uncarinicacid b | C40H56O7 | 648.9 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O)C | |
| TCMBANKIN012636 | tetrahydroalstonine | Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 | C21H25N2O3+ | 353.4 g/mol | CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| TCMBANKIN012930 | hirsutin | 669.67 | COC1=CC2=[O+]C(=C(C=C2C(=C1)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C(=C5)OC)O)OC | ||
| TCMBANKIN013348 | Ajugoside_qt | ajugoside_qt | C17H26O10 | 390.38 | |
| TCMBANKIN013636 | isorosmaricine | C20H27NO4 | |||
| TCMBANKIN013723 | (+)-syringaresinol-4-O-β-D-glucopyranoside | ||||
| 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 |
| TCMBANKIN014375 | ARC | 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL; (3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol | C20H40O | 296.53 | CC(C)CCCC(C)CCCC(C)CCCC(C)CCO |
| TCMBANKIN014510 | (1R,3S,6R)-1,3,7,7-Tetramethyl-2-Oxabicyclo[ 4,4,0]dec-9-ene | 194.35 | |||
| 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 |
| TCMBANKIN014913 | 3-methylhex-2-ene | 20710-38-7; 2-Hexene, 3-methyl-, (E)-; 3-Methyl-trans-2-hexene; (E)-3-methylhex-2-ene; (E)-2-Hexene, 3-methyl; (2E)-3-Methyl-2-hexene; NSC73931; (E)-3-Methyl-2-hexene; 3-METHYL-2-HEXENE; 17618-77-8 | C7H14 | 98.19 | CCCC(=CC)C |
| TCMBANKIN016146 | cadaverine | AC1NS0M3; pentane-1,5-diamine hydrochloride; NSC-5862; Pentamethylenediamine dihydrochloride; NSC5862; Cadaverine Hydrochloride; SCHEMBL344248 | C5H14N2 | 102.18 g/mol | C(CCN)CCN |
| TCMBANKIN018057 | butanedioic acid | YM 905; YM67905; MFCD09952287; SMR004701445; BG00498597; D01269; Vesicare OD; UNII-KKA5DLD701; Solifenacin succinate (JAN/USAN/INN); ST24049293; YM-905; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid; AC1L50Q6; CHEBI:32151; YM-53705; (1S)-3,4-Dihydro-1-phenyl-d5-2(1H)-isoquinolinecarboxylic Acid (3R)-1-Azabicyclo-[2.2.2]oct-3-yl Ester Hydrochloride; Butanedioic acid, compd with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); CS-0371; AB0139087; KKA5DLD701; LS-183550; 242478-37-1; MolPort-003-850-268; Solifenacin succinate [USAN]; Vesikur; MLS006010416; (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate succinate; FT-0657634; Solifenacin (Succinate); A819262; BC677662; CHEMBL1200803; S0944; RXZMMZZRUPYENV-VROPFNGYSA-N; AX8032830; AC1Q5VRD; [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid; AKOS015994745; W-5423; 1-Azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate butanedioic acid (Solifenacin?Succinate); [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid; AN-15595; Solifenacin Succinate Salt; CTK8G3169; KS-00000656; AK160479; s3048; AM84825; 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo(2.2.2)oct-3-yl ester, (1S)-, butanedioate (1:1); [(3R)-quinuclidin-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; succinic acid; KS-1286; HY-A0002; Quinuclidin-3'-yl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylatemonosuccinate; Vesicare; Solifenacin succinate; 242478-38-2; Vesicare (TN); Butanedioic acid, cmpd. with (1S)-(3R)-1-azabicyclo(2.2.2)oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate (1:1); SCHEMBL109333; butanedioic acid; (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester | C27H32N2O6 | 480.6 g/mol | C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O |
| TCMBANKIN019238 | 9-n-butyl-guaiacylglycerol | ||||
| TCMBANKIN019272 | quercetin-3-O-α-Lrhamnopyloside | ||||
| TCMBANKIN019623 | harpagide acetate | harpagideacetate | 406.43 | CC(=O)OCC1CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O | |
| TCMBANKIN019829 | 2,3,4-Trimethylpentane | EINECS 209-292-6; NSC 24846; NSC24846; 4-01-00-00446 (Beilstein Handbook Reference); BRN 1696869; 257508_ALDRICH; 565-75-3; Pentane, 2,3,4-trimethyl-; 92613_FLUKA; FR-2238 | C8H18 | 114.23 | CC(C)C(C)C(C)C |
| TCMBANKIN020231 | Dihydrocorynantheine | Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (2S-(2alpha(E),3alpha,12balpha))-; 7729-22-8; Isocorynantheidine; Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3S,12bR)-; dihydrocorynantheine; Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3beta,16E,20beta)-; 3-Isocorynantheidine; UNII-2CB4G689XT; 2CB4G689XT; 17,18-Seco-3beta,20alpha-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)- | C22H28N2O3 | 368.47 | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
| TCMBANKIN020448 | Dihydrocubebin | C10558; (+)-Dihydrocubebin; dihydrocubebin; CHEMBL1641904; (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-; 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-; 24563-03-9; ZINC6528354; CHEBI:70490; Dihydrocubebin, rel- | C20H22O6 | 358.39 | C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO |
| TCMBANKIN020464 | 3alpha-dihydroxyursen-12-en-28-oate | ||||
| TCMBANKIN020610 | 3-hexenyl acetate butyrate | ||||
| TCMBANKIN020770 | Sym-m-xylenol | 3,5-Dimethyl phenol; NSC 9268; InChI=1/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H; 3,5-Dimethylphenol solution; 3,5-Dimethylphenol; 3,5-Xylenol; EINECS 203-606-5; sym.-m-Xylenol; 442379_SUPELCO; NCGC00091574-01; 50356-23-5; 3,5-Dmp; AI3-01553; 5-Hydroxy-m-xylene; 108-68-9; ST5409867; HSDB 5385; NSC9268; WLN: QR C1 E1; 1,5-Dimethyl-3-hyperoxybenzene; Xylenol 200; 36717_RIEDEL; CHEBI:38572; Phenol, 3,5-dimethyl-; Benzene, 1,3-dimethyl-5-hydroxy-; ZINC01699887; 1,3,5-Xylenol; 1-Hydroxy-3,5-dimethylbenzene; CCRIS 724; 144134_ALDRICH | C8H10O | 122.16 | CC1=CC(=CC(=C1)O)C |
| TCMBANKIN021124 | β-D-fructose | ||||
| TCMBANKIN021743 | 3,3-Dimethylcyclohexanol | 3,3-dimethyl-cyclohexanol | C8H16O | 128.21 | CC1(CCCC(C1)O)C |
| TCMBANKIN021815 | harpagide acetate_qt | 228.27 | |||
| TCMBANKIN023653 | 8'-methoxy-olivil | ||||
| TCMBANKIN025282 | Isocaryophillene | ||||
| TCMBANKIN025403 | trans-4-hydroxycyclohexanc-1-carboxylic acid | C7H12O3 | 144.19 | ||
| TCMBANKIN025669 | 2,4-butylated hydroxytoluene | ||||
| TCMBANKIN026694 | 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)- | (2E,4Z)-3,4-dimethylhexa-2,4-diene; 2417-88-1; (E),(Z)-(CH3CH=C(CH3))2 | C8H14 | 110.2 | CC=C(C)C(=CC)C |
| TCMBANKIN026848 | Ethylcyclohexane | QSPL 100; LMFA11000659; TRA0083601; ETHYLCYCLOHEXANE; UNII-567IJI1215; ethyl-cyclohexane; NSC-8880; DSSTox_CID_30334; ST51047216; DSSTox_GSID_51779; AKOS015906531; Cyclohexane, ethyl-; AK114241; CJ-26661; SBB061162; Jsp003393; InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H; NSC 8880; NCGC00357050-01; RL02152; J-010406; WLN: L6TJ A2; NCGC00166032-01; AJ-28747; 567IJI1215; EINECS 216-835-0; Ethylcyclohexane, >=99%; AI3-15348; CAS-1678-91-7; TR-007279; IIEWJVIFRVWJOD-UHFFFAOYSA-N; KB-51542; MFCD00001523; NSC8880; I14-21466; MCULE-9302115958; I14-6754; 8567AA; 1678-91-7; AN-49676; E19154_ALDRICH; Tox21_303745; FCH1116711; ST24030704; ethylcyclohexane; AC1L2616; RTR-007279; cyclohexylethane; A810916; Ethyl cyclohexane; ACMC-1C1QU; LS-56823; J-521341; ZINC1648302; FT-0626176; E0073; CHEMBL1882821; TRA0085673; DTXSID1051779; MolPort-003-933-653 | C8H16 | 112.21 | CCC1CCCCC1 |
| TCMBANKIN027128 | aucubigenin | 64274-28-8; (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol; Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-; (1R,4aR,5S,7aS)-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol | C9H12O4 | 184.19 | C1=COC(C2C1C(C=C2CO)O)O |
| TCMBANKIN027421 | 3,4,4a,5,6,8a-Hexahydro-2,5,5,8a-tetramethyl-(2a,4a,8a)-2H-1-Benzopyran | 194.35 | |||
| TCMBANKIN027646 | 3-methyl- 1-dodecyn- 3-ol | C13H24O | 196.33 g/mol | CCCCCCCCCC(C)(C#C)O | |
| TCMBANKIN027718 | MHP | m-hydroxyphenylpropionate; 3-HYDROXYPHENYL-PROPIONATE; 4-10-00-00630 (Beilstein Handbook Reference); AI3-32395; Dihydro-3-coumaric acid; NSC 33135; Benzenepropanoic acid, 3-hydroxy- (9CI); Hydrocinnamic acid, m-hydroxy-; .beta.-(3-Hydroxyphenyl)propionic acid; m-hydroxyphenylpropionic acid; 3-(3-hydroxyphenyl)propionic acid; 3-(3-hydroxyphenyl)propanoic acid; 3HPP; NSC 39468; Benzenepropanoic acid, 3-hydroxy-; BRN 1947445; NSC33135; .beta.-(m-Hydroxyphenyl)propionic acid; beta-(3-Hydroxyphenyl)propionic acid; 3-Hydroxybenzenepropanoic acid; C11457; 3-(3-hydroxyphenyl)propionate; 3-(3-Hydroxy-phenyl)-propanoic acid; NSC39468; beta-(m-Hydroxyphenyl)propionic acid; 621-54-5; CHEBI:1427; 3-(m-Hydroxyphenyl)propionic acid; EINECS 210-692-8; ST5407837; InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12; 3-Hydroxyphenylpropanoate; 3-Hydroxyphenylpropionic acid | C9H10O3 | 166.17 | C1=CC(=CC(=C1)O)CCC(=O)O |
| TCMBANKIN027842 | vincristine | AC-20336; 57-22-7; AKOS015965501 | C46H56N4O10 | 825 g/mol | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| TCMBANKIN028164 | akuammicine | UNII-RG055O00BG; Curan-17-oic acid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-; Methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate; 639-43-0; Akuammicine; RG055O00BG; CHEBI:70499 | C20H23N2O2+ | 323.4 g/mol | CC=C1C[NH+]2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC |
| TCMBANKIN028538 | Dehydrodihydroionone | 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one; Dihydrodehydro-beta-ionone; 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone; 20483-36-7; 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-; 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)butan-2-one; EINECS 243-847-3; 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)butan-2-one; FEMA No. 3447 | C13H20O | 192.3 | CC1=C(C(CC=C1)(C)C)CCC(=O)C |
| TCMBANKIN028722 | borreriagenin | C10H14O5 | 214.21 g/mol | C1=C(C(C2C1OC(=O)C2CO)CO)CO | |
| TCMBANKIN029740 | 2-Pentene, 3-ethyl-4,4-dimethyl- | (E)-3-ethyl-4,4-dimethyl-pent-2-ene; (E)-3-ethyl-4,4-dimethylpent-2-ene; (2E)-3-Ethyl-4,4-dimethyl-2-pentene | C9H18 | 126.24 | CCC(=CC)C(C)(C)C |
| TCMBANKIN030090 | 3-beta-isodihydrocadambine | 3beta-isodihydrocadambine; 3β-isodihydrocadambine | C27H34N2O10 | 546.6 g/mol | COC(=O)C1=COC(C2C1CC3C4=C(CCN3C2CO)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN030109 | (3S,5R,6R,9S)-tetrahydroxy-7-ene-megastigmane | ||||
| TCMBANKIN030505 | (4aR)-1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one | C13H20O | 192.3 | ||
| TCMBANKIN030583 | 4,6,6-trimethyl bicycle[3.1.1]hept-3-en-2-one | ||||
| TCMBANKIN030641 | β-D-fructofuranosyl-α-D-galactopyranoside | ||||
| TCMBANKIN031644 | ziziphussaponin ii | ||||
| TCMBANKIN031739 | 8-methoxy-medioresinol | ||||
| TCMBANKIN031913 | 2-(Buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl) thiophene | 4-(5-buta-1,3-diynylthiophen-2-yl)-1-chlorobut-3-yn-2-ol; AC1NST6U; 2-(buta-1,3-diynyl)-5-(4-chloro-3-hydroxybut-1-ynyl)thiophene | C12H7ClOS | 234.71 | C#CC#CC1=CC=C(S1)C#CC(CCl)O |
| TCMBANKIN032208 | rhynchophylline n-oxide | rhynchophyllinen-oxide; AC1NSY1P; methyl (E)-2-[(6'R)-6'-ethyl-4'-oxido-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl]-3-methoxyprop-2-enoate | CCC1C[N+]2(CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O)[O-] | ||
| TCMBANKIN032554 | Angustidine | Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 8,13-dihydro-2-methyl-; DTXSID90193213; angustidine; AC1MJ37J; 40217-50-3; Angustidin | C19H15N3O | 301.34 | CC1=CC2=C(C=N1)C(=O)N3CCC4=C(C3=C2)NC5=CC=CC=C45 |
| TCMBANKIN032907 | α-D-glucopyranosyl-(1 →1')-3'-amino-3'-deoxy-β-D-glucopyranoside | α-D-glucopyranosyl-(1→1')-3'-amino-3'-deoxy-β-D-glucopyranoside | |||
| TCMBANKIN033336 | 8-hydroxy-medioresinol | ||||
| TCMBANKIN033923 | METHYLBENZOFURAN | 65850_FLUKA; Benzofuran, 2-methyl-; InChI=1/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H; AI3-11240; 25586-38-3; 2-methyl-1-benzofuran; EINECS 224-249-1; 224340_ALDRICH; 4265-25-2; Benzofuran, methyl-; 2-METHYLBENZOFURAN | C9H8O | 132.16 g/mol | CC1=CC2=CC=CC=C2O1 |
| TCMBANKIN035051 | 1-Deoxyeucommiol | 1-deoxyeucommiol; 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol; 2-[(1R)-2,3-bis(hydroxymethyl)-1-cyclopent-2-enyl]ethanol; 2-[(1R)-2,3-dimethylol-1-cyclopent-2-enyl]ethanol; AC1NSUE9 | C9H16O3 | 172.22 g/mol | C1CC(=C(C1CCO)CO)CO |
| TCMBANKIN035272 | 1,2-dimethylbenzene | 27621-EP2272832A1; DTXSID10178042; 22771-EP2305682A1; 27621-EP2275411A2; 22771-EP2287147A2; 30823-EP2308858A1; 22771-EP2274983A1; 27621-EP2298769A1; 30823-EP2311816A1; 22771-EP2308879A1; 27621-EP2292592A1; 22771-EP2295429A1; 27621-EP2295434A2; 2-methylbenzyl; 22771-EP2315502A1; 30823-EP2311817A1; 1,2-dimethyl-benzene; 25974-EP2378585A1; 22771-EP2275412A1; 2348-48-3; o-methylbenzyl; methylbenzyl; 2-Methylbenzyl radical; 25974-EP2314558A1; 27621-EP2298767A1; AC1L3AU6; 25974-EP2372804A1; 27621-EP2298743A1; 27621-EP2311830A1; 22771-EP2292606A1; 22771-EP2287164A1; 25974-EP2371810A1; 27621-EP2314587A1 | C8H9 | 105.16 g/mol | CC1=CC=CC=C1[CH2] |
| TCMBANKIN036050 | (?)-epicatechin | C15H14O6 | |||
| TCMBANKIN036419 | 9-n-butyl-isoguaiacylglycerol | ||||
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN036875 | geniposide | AKOS015965362; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-; 27745-20-6; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-; ZINC03882101; 24512-63-8; Geniposide; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; AC-20245; C09781; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester | C17H24O10 | 388.366 | [C@]1([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)OC([H])=C(C(OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C([H])=C3C([H])([H])O[H])[C@]13[H] |
| TCMBANKIN037980 | Valtratum | EINECS 242-174-2; (7S)-4-Acetoxymethyl-1,6,7,7a-tetrahydro-1alpha,6alpha-bis(isovaleroyl)cyclopent(c)pyran-7-spiro-2-oxiran; Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-; Valtrats [German]; Valtrato [INN-Spanish]; 3a,4-Dihydro-3,4-dihydroxyspiro(benzofuran-2(3H),2'-oxirane)-6-methanol 6-acetate 3,4-diisovalerate; Valtratum [INN-Latin]; 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7-(6H),2'-oxirane)-4-methanol 4-acetate 1,6-diisovalerate; CCRIS 5795; AC1MHWMS; LS-46346; [(1S,6S,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate; Valtrate [INN]; Valepotriate; 4-Acetoxymethyl-1,6,7,7a-tetrahydro-1,6-bis(isovaleryloxy)cyclopenta(c)pyran-7-spiro-2'-oxiran; Halazuchrome B; Baldrisedon; Valtratum | 422.5 g/mol | ||
| TCMBANKIN038368 | 4-Hydroxyphenylethyl 4-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranoside | ||||
| TCMBANKIN038522 | 6,7-epoxy-4-dumorten-3-one | C15H22O2 | CC1CCC(C2(C(O2)C3=C(C(=O)CC13)C)C)C | ||
| TCMBANKIN038532 | δ-Cadinene | δ- cadinene | 204.39 | ||
| TCMBANKIN039277 | (-)-5'-Methoxyisolariciresinol | (7S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; AC1NSY47; (-)-5'-methoxyisolariciresinol | C21H26O7 | 390.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C=C23)O)OC)CO)CO |
| TCMBANKIN039472 | rhynchophylline | SCHEMBL18779880; AKOS025402303; methyl (Z)-2-[(6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate; AC-7977; Rhynchophylline; AC1NSX50; 76-66-4 | C22H28N2O4 | 384.5 g/mol | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
| TCMBANKIN039541 | Isocorynoxeine | methyl (E)-2-[(6'R,7'S)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate; Ambotz630-94-4; AC1NSTVG; AKOS032947817; 630-94-4 | 382.5 g/mol | ||
| TCMBANKIN039593 | Reptoside | CHEMBL518538 | 390.38 | ||
| TCMBANKIN040041 | Vincosamide | CHEMBL455017 | 498.5 g/mol | ||
| TCMBANKIN041402 | chlorogenic acid | 3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid | C16H18O9 | 354.309 | C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN041807 | Strigol | SCHEMBL121895; (3E,3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylene)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one; CHEMBL2270918; DTXSID8074449; ZINC4097950; UNII-7I81Q4NS29; MolPort-042-644-282; (3E,3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one; 2H-Indeno(1,2-b)furan-2-one, 3-(((2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,5,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-, (3aR-(3E(R*),3aalpha,5beta,8balpha))-; 7I81Q4NS29; C09190; CHEBI:9290; AC1NQYET; 11017-56-4; 2H-Indeno(1,2-b)furan-2-one, 3-((((2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-, (3E,3aR,5S,8bS)-; (+)-strigol; VOFXXOPWCBSPAA-KCNJUGRMSA-N; Strigol | 346.4 g/mol | ||
| TCMBANKIN042568 | Vincoside lactam | 498.5 g/mol | |||
| TCMBANKIN042628 | loganin | SDCCGMLS-0066747.P001; KBio2_001983; Spectrum_001503; BSPBio_003350; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; KBio2_004551; KBio1_001603; Loganin; C01433; KBioSS_001983; KBio2_007119; Spectrum2_001637; KBio3_002852; methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; SPBio_001733; Spectrum4_001914; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; Methyl (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate; DivK1c_006659; Spectrum5_000628; CHEBI:15771; SpecPlus_000563; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; 18524-94-2; EINECS 242-398-0; MEGxp0_000723; SPECTRUM1504066; ACon1_001749; Spectrum3_001875; ZINC03978792; 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester; KBioGR_002535; LMPR01020102 | C18H28O10 | 404 | [C@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(O[C@]([H])(O[C@@]3(C([H])([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2C(OC([H]) ([H])[H])=O |
| TCMBANKIN043626 | aucubin | AIDS031379; 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; MEGxp0_001729; 479-98-1; AIDS-031379; Aucubin; NSC 407293; 55561_FLUKA; LMPR01020107; AKOS015965329; ZINC04098334; (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; C09771; AC-20186; ACon1_002452; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; EINECS 207-540-8; (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | C15H22O10 | 362.329 | [C@@]12([H])[C@@]([H])(C(C([H])([H])O[H])=C([H])[C@@]1([H])O[H])[C@]([H])(OO[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2[H] |
| TCMBANKIN043970 | hirsuteine | methyl (Z)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate; AC1NSWBG | C22H26N2O3 | 366.5 g/mol | COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
| TCMBANKIN044455 | Cinchonain Ia | 450.4 g/mol | |||
| TCMBANKIN045080 | Gelsamydine | C29H36N2O6 | c1([H])c([H])c([C@]2(C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])O3)[C@]4([H])C([H])([H])[C@]23[H])N=C4[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]5([H])[C@]6([H])[C@@]([H])(C([H])([H])[C@]([H])(C([H])([H ])[H])[C@@]6([H])C([H])([H])O[H])OC5=O)C(=O)N7OC([H])([H])[H])c7c([H])c1[H] | ||
| TCMBANKIN045104 | chlorogenic | chlorogenetic,acid; 5'-caffeoylquinic acid | C16H18O9 | 354.309 | c1(O[H])c([H])c(\C([H])=C([H])\C(=O)O[C@]2([H])C([H])([H])[C@@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c1O[H] |
| TCMBANKIN045633 | olivil | (-)-Olivil | C20H24O7 | 376.4 | COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)O |
| TCMBANKIN045812 | Thunberginol C | 272.25 g/mol | |||
| TCMBANKIN046352 | methyl chlorogenate | Neochlorogenic acid methyl ester; methyl (1R,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylate; methylchlorogenate; (1R)-1alpha,3alpha,4alpha-Trihydroxy-5beta-(3,4-dihydroxycinnamoyloxy)cyclohexanecarboxylic acid methyl ester | C17H20O9 | 368.335 | c1(O[H])c([H])c(\C([H])=C([H])\C(=O)O[C@]2([H])C([H])([H])[C@@](C(OC([H])([H])[H])=O)(O[H])C([H])([H])[C@@]([H])(O[H])[C@@]2([H])O[H])c([H])c([H])c1O[H] |
| TCMBANKIN046469 | trifolrhizin | LMPK12070033; (-)-Maackiain 3-O-glucoside | C22H22O11 | 462.403 | c1([H])c([H])c([C@]([H])(Oc(c([H])c(OC([H])([H])O2)c2c3[H])c34)[C@@]4([H])C([H])([H])O5)c5c([H])c1OO[C@@]([H])(O[C@](C([H])([H])O[H])([H])[C@]6(O[H])[H])[C@@]([H])(O[H])[C@@]6(O[H])[H] |
| TCMBANKIN046490 | Hispaglabridin A | AIDS096018; 4-((R)-8,8-Dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:4,3-b']dipyran-3-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol; 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; C10425; 68978-03-0; 4-((R)-8,8-Dimethyl-3,4-dihydro-2H,8H-benzo(1,2-b:4,3-b')dipyran-3-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol; AIDS-096018; 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-2-(3-methylbut-2-enyl)resorcinol; hispaglabridin a; AC1NSWBM | C25H28O4 | 392.49 | CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C |
| TCMBANKIN046883 | Methyl ganoderate AP | methyl 6-[(10S,12S,13R,17S)-12,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoate; AC1NSYEG | C31H44O9 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[C@]([H])(C([H])([H])[H])C(OC([H])([H])[H])=O)=O)C ([H])([H])[C@]2([H])O[H])[C@@]23C([H])([H])[H])=C3C(=O)C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O | |
| TCMBANKIN047206 | 8-epiloganin | 8-epi-loganin | C17H26O10 | 390.4 g/mol | CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN048003 | Dihydrodehydrodiconiferyl alcohol | 360.401 | |||
| TCMBANKIN048590 | 7-epi-Loganin | 7-epi-loganin | C17H26O10 | 390.4 g/mol | CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN049357 | corynoxeine | CS-3803; AX8245225; 6877-32-3; ZINC33830337; 27KIC0Q2VA; AK119809; Y0055; AJ-86336; CHEMBL1909424; CHEMBL481358; Corynoxan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-2-oxo-, methyl ester, (7beta,16E,20alpha)-; CHEBI:70072; AKOS016010994; AKOS032948990; Corynoxine; ST24046371; X1112; MolPort-020-005-704; N2484; MolPort-044-724-587; 630-94-4; ZINC33830335; C22H28N2O4; HY-N0590; CS-3802; Q-100772; UNII-27KIC0Q2VA; HY-N0901; 76-66-4; Corynoxeine | C22H26N2O4 | 382.453 | c1([H])c(N([H])C(=O)[C@@]23C([H])([H])C([H])([H])N(C([H])([H])[C@@](C([H])=C([H])[H])([H])[C@](\C(\C(OC([H])([H])[H])=O)=C([H])/OC([H])([H])[H])([H])C4([H])[H])[C@]24[H])c3c([H])c([H])c1[H] |
| TCMBANKIN049640 | trans-4-Hydroxycyclohexane-1-carboxylic acid | trans-4-hydroxycyclohexane-1-carboxylicacid | 144.17 | ||
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058130 | quercetin-３-Ｏ-galactoside | hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside | C21H19O12- | 463.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
| TCMBANKIN058131 | hyperoside | quercetin-3-O-beta-galactoside; Quercetin-3-O-Galactoside; Quercetin 3-O-galactoside | C21H20O12 | 464.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| TCMBANKIN058152 | (2S,3S)-(-)-taxifolin-3-O-β-D-glucoside | (2R, 3R)- taxifolin-3-'O-B-D- glucopyranoside | C21H22O12 | C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | |
| TCMBANKIN058161 | 3, 4-dihydroxybenzenepropionic acid | 3-(3,4-dihydroxyphenyl)propanoicacid;HYKOP | C9H10O4 | 182.17 g/mol | C1=CC(=C(C=C1CCC(=O)O)O)O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058477 | quercetin-3-O-sambubioside | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 83048-35-5; Quercetin 3-O-beta-xylopyranosyl-(1-2)-O-beta-glucopyranoside; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;quercetin- 3-O-β-D-xylosyl-(1→2)-β-D-glucoside;Quercetin 3-sambubioside | C26H28O16 | 596.5 g/mol | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058514 | Cinchonain 1a | 85081-24-9; cinchonain Ib; CHEMBL251476; SCHEMBL1769333; CHEBI:3702; Cinchonain 1a; (2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one; DTXSID40331901; LMPK12020084; C10217; AC1L9D7B; 85081-24-9; (2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[6,5-h]chromen-8-one; C10217; cinchonain ib | C24H20O9 | 452.4 g/mol | C1C(C(OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O |
| TCMBANKIN058551 | Geniposidic acid | geniposidicacid; 27741-01-1; geniposidic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; 27932-72-5; C11673; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acid | C16H22O10 | 374.34 | C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
| TCMBANKIN058837 | Supraene | trans-Squalene; SQUALENE; 94016-35-0; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-; (E,E,E,E)-Squalene; InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24; 442785_SUPELCO; Squalene, Spinacene, Supraene; AIDS-017396; 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene; All-trans-Squalene; 111-02-4; EINECS 203-826-1; (14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,; S3626_SIGMA; 7683-64-9; CHEBI:15440; 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-; 2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene; AIDS017396; Spinacene; C00751; NSC93748; (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene; LMPR01060008; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-; CCRIS 711; (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;squalene | C30H50 | 410.72 | CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
| TCMBANKIN059040 | asperulosidic acid methyl ester | daphylloside | C19H26O12 | 446.4 g/mol | CC(=O)OCC1=CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059258 | dihydrocapsacine | Dihydrocapsaicin; CHEBI:46932; Nonanamide, 8-methyl-N-vanillyl-; ZINC02522581; A813700; M1022_SIGMA; N-[(4-Hydroxy-3-methoxy-phenyl)methyl]-8-methyl-nonanamide; N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide; N-[(3-methoxy-4-oxidanyl-cyclohexa-2,4-dien-1-yl)methyl]-8-methyl-non-6-enamide; NCGC00094119-02; TNP00314; ST057532; dihydrocapsaicin; 19408-84-5; 6,7-Dihydrocapsaicin; EU-0100782; NCGC00015645-01; N-(4-hydroxy-3-methoxy-benzyl)-8-methyl-pelargonamide; N-[(4-hydroxy-3-methoxy-1-cyclohexa-2,4-dienyl)methyl]-8-methyl-6-nonenamide; 8-Methyl-N-vanillylnonanamide; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methylnonanamide; BRN 2815150; Dihydrocapsacine; Nonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl- (9CI); Lopac0_000782; N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide; NCGC00015645-02; Lopac-M-1022; CCRIS 1589 | C18H29NO3 | 307.4 g/mol | CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| TCMBANKIN059272 | diisobutyl phthalate | di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC | C16H22O4- C6H4[CO2CH2CH(CH3)2]2 | 278.34 g/mol | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| TCMBANKIN059426 | (E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one | C13H18O | 190.28 g/mol | CC=CC(=O)C1=C(C=CCC1(C)C)C | |
| TCMBANKIN059427 | beta-damascone | C13H20O | 192.3 g/mol | CC=CC(=O)C1=C(CCCC1(C)C)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059615 | uncarinicacid b | C40H56O7 | 648.9 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O)C | |
| TCMBANKIN059717 | beta-Cyclocitral | C10H16O | 152.23 g/mol | CC1=C(C(CCC1)(C)C)C=O | |
| TCMBANKIN059967 | germacrone | C15H22O | 218.33 | CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060060 | harmine | C13H12N2O | 212.25 | CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC | |
| TCMBANKIN060061 | harmane | C12H10N2 | 182.22 g/mol | CC1=NC=CC2=C1NC3=CC=CC=C23 | |
| 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 | |
| TCMBANKIN060387 | isopteropodine | C21H24N2O4 | 368.4 g/mol | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | |
| TCMBANKIN060390 | akuammigine | C21H24N2O3 | 352.4 g/mol | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | |
| TCMBANKIN060589 | Dihydronepetalactone | C10H16O2 | 168.23 g/mol | CC1CCC2C1C(=O)OCC2C | |
| TCMBANKIN060708 | 9,12,15-Octadecatrien-1-ol,(Z,Z,Z) | C18H32O | 264.45 g/mol | CCC=CCC=CCC=CCCCCCCCCO | |
| TCMBANKIN060756 | isorhynchophylline | C22H28N2O4 | 384.5 g/mol | CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O | |
| TCMBANKIN060757 | hirsutine | C22H28N2O3 | 368.5 g/mol | CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060807 | 3-methylheptane | C8H18 | 114.23 | CCCCC(C)CC | |
| TCMBANKIN060819 | 2-heptenal;E-2-Heptenal;cis-Hept-2-enal;trans-2-heptenal;(E)-2- heptenal;Heptenal;beta-heptenal;(Z)-2-heptenal;2- Heptenal,(E)-;alpha-heptenal | C7H12O | 112.17 g/mol | CCCCC=CC=O | |
| TCMBANKIN060850 | 2-methyl-Heptane | C8H18 | 114.23 g/mol | CCCCCC(C)C | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060881 | linoleic acid ethyl ester | C20H36O2 | 308.5 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060906 | trans-2-nonenal | C9H16O | 140.22 g/mol | CCCCCCC=CC=O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061041 | Myristaldehyde | C14H28O | 212.37 g/mol | CCCCCCCCCCCCCC=O | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061244 | OXA | C2H6O | 46.07 | CCO | |
| TCMBANKIN061411 | Deacetyl asperulosidic acid methyl ester | methyldeacetylasperulosidate, methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; deacetyl asperulosidicacid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; deacetyl asperulosidic acid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate | C17H24O11 | 404.4 g/mol | COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061546 | (+)-cyclo-olivil | (+)-Cycloolivil;cycloolivil;(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxytetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol; ACon1_001444; MEGxp0_001281; (+)-cycloolivil; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-2,6-diol; (2S,3S,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol | C20H24O7 | 376.4 g/mol | COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O |
| TCMBANKIN061608 | AIDS214634 | (1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; (1R,3aR,4S,6aS)-1,4-bis(4-hydroxy-3-methoxy-phenyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-6a-ol; AIDS-214634; 1H,3H-Furo[3,4-c]furan-3a(4H)-ol, dihydro-1,4-bis(4-hydroxy-3-methoxyphenyl)-, (1S,3aS,4R,6aR)-;(+)-1-hydroxy-2,6-bis-epi-pinoresinol;(+)-1-hydroxylpinoresinol;(+)-1-hydroxylpinoresinol;8-hydroxypinoresinol | C20H22O7 | 374.4 g/mol | COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)O |
| TCMBANKIN061611 | Pinoresinol 4-O-β-D- glucopyranoside;(+)-pinoresinolo-β-d-glucopyranoside;(?)-pinoresinol o-β-d-glucopyranoside;(+)-Pinoresinol-.beta.-D-glucoside;pinoresinol-4-O-glucoside;pinoresinol-beta-d-glucoside | (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; AIDS-109049; AIDS109049; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol;Pinoresinol-β-D-glucoside | C26H32O11 | 520.5 g/mol | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
| TCMBANKIN061628 | Lariciresinol | 27003-73-2; NSC329247; lariciresinol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol; Lariciresinol, (+)-; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxy-benzyl)-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol; C10646; Arbo 4; (+)-lariciresinol | C20H24O6 | 360.4 g/mol | COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O |
| TCMBANKIN061670 | Isocorypalmine | (13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol; 483-34-1; 5,8,13,13a-Tetrahydrocolumbamine; AJ-84169; 20504-94-3; SCHEMBL16035972; (-)-Isocorypalmine; BDBM50429057; UNII-YHT108XMMM component KDFKJOFJHSVROC-INIZCTEOSA-N; 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (S)- (9CI); ZINC30725153; Corydalis L; l-Tetrahydrocolumbamine; l-Isocorypalmine; (S)-3,9,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol; 6611AB; AX8235065; ISOCORYPALMINE, (-)-; FT-0670441; AKOS016007096; O10-Methylstepholidine; Tetrahydro-columbamine; C04118; CHEMBL2334891; 5, 8, 13, 13a-tetrahydrocolumbamine; CHEBI:17772; CTK8C0461; HY-N0927; (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol; Tetrahydrocolumbamine; (S)-THC; ANW-64713; ST24036047; 13a-alpha-Berbin-2-ol, 3,9,10-trimethoxy- (8CI); 2-O-Desmethyl-L-THP; 1356-03-2; UNII-MX470OL19D; isocorypalmine; AK103526; S-TETRAHYDROCOLUMBAMINE; ACM483341; MX470OL19D; 483-33-0; MolPort-023-332-930; (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol; TC-153458; (13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol; (S)-Tetrahydrocolumbamine; AC1L98XN; KB-211380; Columbamine, tetrahydro- (7CI); tetrahydrocolumbamine | C20H23NO4 | 341.4 g/mol | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| TCMBANKIN061762 | syringaresinol | (+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A | C34H46O18 | 742.72 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| TCMBANKIN061792 | syringin | C17H24O9; Glucoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl, D; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl; LS-172368; Ligustrin (VAN); NSC 287441;syringenone;Syrigin;cis-syringin;ligustrin | C17H24O9 | 372.4 g/mol | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
| TCMBANKIN061793 | liriodendrin | HMS2205G05; syringaresinol diglucoside; liriodendrtachioside; MLS002472897; SMR001397008; NCGC00247452-01; Liriodendrin; CHEMBL505393; eleutheroside e | C34H46O18 | 742.72 g/mol | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC |
| TCMBANKIN061794 | Eucommin A | (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 99633-12-2; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; Medioresinol 4'-O-beta-D-glucopyranoside; CHEMBL573786; eucommin a; C10560; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (+)-medioresinol 4'-O-β-D-glucopyranoside | C27H34O12 | 550.55 | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC |
| TCMBANKIN061904 | methyl 6-o-galloy-beta-d-glucopyranoside | methyl-6-O-galloyl-β-D-glucopyranoside;methyl-6-o-galloyl-β-d-glucopyranoside | C14H18O10 | 346.32 | COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O |
植物对应的疾病
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植物对应的靶点
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