Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE001046 |
ID: | TCMBANKHE001046 |
功能与主治: | Hyperlipemia, kidney vacuity cold, cold pain in lesser-abdomen, mounting qi , beriberi. |
药用植物名: | 胡芦巴 |
治疗类型: | 补阳药 |
TCM_ID_id: | 1098 |
SymMap_id: | 174 |
TCMSP_id: | 350 |
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 |
|---|
| TCMBANKIN000064 | diosgenin | AKOS025402315; MolPort-028-744-580; (25R)-5-Spirosten-3beta-ol; 3beta-Hydroxy-5-spirostene; nitogenin; NSC 226132; Spirost-5-en-3-ol, (3beta,25S)-; diosgenin ; AC-8024; 512-04-9; 22-epi-Yamogenin; C08898; D1634_SIGMA | C27H42O3 | 414.62 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000095 | oxymatrine | Ammothamnine; STOCK1N-33797 | C15H24N2O2 | 264.36 | C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-] |
| TCMBANKIN000897 | 2,5-bis(1-methyl-1-silacyclobutyl)-p-xylene | C16H26Si2 | 274.55 g/mol | CC1=CC(=C(C=C1[Si]2(CCC2)C)C)[Si]3(CCC3)C | |
| TCMBANKIN002486 | 3-O-β-d-glucoside-dopsgenin | ||||
| TCMBANKIN003826 | vicenin Ⅱ | C26H28O14 | C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O | ||
| TCMBANKIN003964 | platycogenic acid a | Platycogenic acid A; AC1NSZPE; (2S,3R,4S,6aR,8S,8aR,12aS,14bR)-2,3,8-trihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid; platycogenicacid a | C30H46O8 | 534.7 g/mol | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(CO)C(=O)O)O)O)C)C)C(=O)O)C |
| TCMBANKIN004254 | diosgenin-3-o-β-d-glucopyranosyl(1→4)-α-l-rhamnopyranosyl(1→4)-β-d-gluco-pyranosyl(1→4)-β-d-glucopyranoside | C51H82O22 | |||
| TCMBANKIN004638 | polygalacic acid | SMR001215693; CHEMBL1722733; polygalacicacid; NCGC00247514-01; Polygalacic acid; MLS000575020; HMS2268O05 | C30H48O6 | 504.7 g/mol | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C(=O)O)C |
| TCMBANKIN004978 | Galactomannan | (2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol; (2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4-triol; galactomannan; (2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol; Galactomannoglycan; (2R,3S,4R,5S,6R)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4-triol; C00883 | C18H32O16 | 504.4 g/mol | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O |
| TCMBANKIN005252 | trigofoenoside e 1 | C51H84O22 | 1049.2 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC | |
| TCMBANKIN006175 | carpaine | CHEBI:3433; 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione; (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione; VLR223H4QP; AC1L9D45; EINECS 222-414-2; SCHEMBL1443089; (+)-Carpaine; UNII-VLR223H4QP; 3463-92-1; ZINC100071528; C10135; Carpaine | C28H50N2O4 | 478.7 g/mol | CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C |
| TCMBANKIN007258 | Yamogenin | WQLVFSAGQJTQCK-CAKNJAFZSA-N; (25S)-spirost-5-en-3beta-ol; NSC 226132; LMST01080045; AC1L9BVW; AC-8895; S00020; (2R,5'S)-5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]ol; Jamogenin; Neodiosgenin; AKOS025402417; CHEBI:10086; Spirost-5-en-3-ol, (3beta,25S)-; SCHEMBL6040875; CHEMBL400807; C08918; yamogenin; ZINC8234229; 512-06-1; 25-epi-Diosgenin | C27H42O3 | 414.62 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN009528 | trigofoenoside b 1 | C46H78O19 | |||
| TCMBANKIN009846 | fenugreekine | C21H27N7O14P2 | 663.4 g/mol | C1=CC(=NC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O | |
| TCMBANKIN010099 | gotogenin | ||||
| TCMBANKIN010858 | kaenpferol | ||||
| TCMBANKIN010975 | delphinidin-3-di-caffeoylrutinosido-5- glucoside | ||||
| TCMBANKIN011460 | trigofoenoside a 1 | C46H76O18 | |||
| TCMBANKIN011615 | latycodigenin | 2-(2-Benzoylphenyl)-4H-3,1-benzooxazine-4-one; 2-(2-benzoylphenyl)-3,1-benzoxazin-4-one; J3.510.923D; NSC-255313; AKOS024334370; NSC255313; 2-(2-benzoylphenyl)-4h-3,1-benzoxazinone; ZINC395176; AC1L7YG4; MCULE-6186394289; SCHEMBL1478089 | C21H13NO3 | 327.3 g/mol | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3 |
| TCMBANKIN011917 | neogitogenin | Neogitogenin; C17003; 6811-13-8; CHEBI:80854 | C27H44O4 | 432.6 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
| TCMBANKIN013284 | methyl platyconate a | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)C(=O)OC)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O | |||
| TCMBANKIN013322 | kaempferol 3-o-β-d-glucosyl(1→2)-β-d-gala-ctoside 7-o-β-d-glucoside | C33H40O21 | |||
| TCMBANKIN013824 | 22-O-methyl-52-furostan-3β,22,26-triol 3-O-2-[-rhap(1→2)β-d-glu(1→3)-β-d-glucopyranode-26-β-d-glucopyranoside | C52H88O23 | |||
| TCMBANKIN014623 | platycogenic acid b | Platycogenic acid B; (2S,3R,4R,6aR,8S,8aR,10S,12aS,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid; platycogenicacid b; AC1NSZPH | C30H46O8 | 534.7 g/mol | CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)O)C)(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C |
| TCMBANKIN015200 | platyconicacid a lactone-28-[β-d-apiofuranos-yl(1→3)-β-d-xylopyranosyl(1→4)-α-l-rham-nopyranosyl(1→2)-l-arabinopyranosyl] 3-o-β-d-glucopyranoside | ||||
| TCMBANKIN015521 | l-histidine | Histidine monohydrochloride; histidin hydrochloride; Histidine, hydrochloride (1:1); TC-066771; 123333-71-1; NSC27422; D-Histidine, monohydrochloride; NSC46706; dl-histidine hydrochloride monohydrate; DL-HISTIDINE HYDROCHLORIDYL; L-Histidine dihydrochloride; NSC-27422; AK114057; DL-Histidine hydrochloride; 6459-59-2; L-Histidine, hydrochloride (1:1); NSC257867; L-Histidine, monohydrochloride; EN300-74227; KB-227425; MFCD00064555; NSC-206275; D-Histidine, hydrochloride; SC-15765; Histidine hydrochloride; Histidine, DL-; CTK8C6860; Histidine HCl; NSC-257867; DL-Histidine, hydrochloride; MCULE-2221977105; NSC206275; 2-Amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride; DL-Histidine monoHCl; AKOS015847815; DL-HISTIDINE MONOHYDROCHLORIDE; DL-Histidine? inverted exclamation mark currencyHCl; D-Histidine, hydrochloride (1:1); (R,S)-histidine monohydrochloride; NE11134; VC30754; SBB003627; FT-0636156; L-HISTIDINE DI HCL; NSC-46706; 2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrochloride; L-Histidine monohydrochloride; SCHEMBL139654; V0436; DL-Histidine, monohydrochloride; HISTIDINE,(L); (--)-Histidinmonohydrochlorid; MolPort-003-983-035; D-Histidine hydrochloride; Histidine dihydrochloride; rac-histidine monohydrochloride; AKOS016367771; AN-32791; BG00602759 | C6H10ClN3O2 | 191.61 g/mol | C1=C(NC=N1)CC(C(=O)O)N.Cl |
| TCMBANKIN016694 | gentianine | AKOS005266580; Gentianine; ZINC1530467; MCULE-3837896278; 439-89-4; NSC606848; 4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone; BB_NC-0759; 5-vinyl-3-hydro-4H-pyrano[3,4-c]pyridin-1-one; 1H-Pyrano(3,4-c)pyridin-1-one, 5-ethenyl-3,4-dihydro- (9CI); 4-27-00-02817 (Beilstein Handbook Reference); Gencianina; Bio-0278; Q-100479; C2PD310UXB; 1H-Pyrano[3,4-c]pyridin-1-one, 5-ethenyl-3,4-dihydro-; 5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; Erythricine; FCH842303; ZINC01530467; From Schultesia guianensis malme (Mata-Zombando); C06525; 5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one; UNII-C2PD310UXB; 5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one; 5-vinyl-3,4-dihydropyrano[3,4-c]pyridin-1-one; ST023290; CHEBI:28981; NSC-606848; W1062; 1H-Pyrano[3,4-c]pyridin-1-one,5-ethenyl-3,4-dihydro-; 4-(2-Hydroxyethyl)-5-vinylnicotinic lactone; MolPort-002-507-225; SCHEMBL2216852; AC1L74P3 | C10H9NO2 | 175.18 g/mol | C=CC1=CN=CC2=C1CCOC2=O |
| TCMBANKIN017097 | rtigocoumarin | ||||
| TCMBANKIN017610 | Carpesia lactone | carpesia lactone | C15H20O3 | 248.32 g/mol | CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C |
| TCMBANKIN018406 | sitogenin | 432.71 | |||
| TCMBANKIN018509 | diosgenin-3-o-α-l-rhamnopyranosyl(1→3)-α-l-rhamnopyranosyl(1→4)-β-d-glucopyra-nosyl(1→4)-β-d-glucopyranoside | C51H82O21 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1 | ||
| TCMBANKIN018597 | 3-O-2-1-Rhammoside-2-1-Rhammoside-β-D-glucoside-dopsgenin | ||||
| TCMBANKIN020267 | 9,11-Dimethyl-11-ethyl-10,12-dihydroxy-dodecanoicacid | 288.48 | |||
| TCMBANKIN020392 | sarsasapogeni | AKOS025402319; (1'R,2R,2'S,4'R,7'S,8'R,9'S,12'S,13'S)-5,7',9',13'-TETRAMETHYL-5'-OXASPIRO[OXANE-2,6'-PENTACYCLO[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]ICOSAN]-16'-OL; AC-8053; BG01705212; Q-201700 | C27H44O3 | 416.64 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN021528 | soyasapogenol b | Soyasapogenol B; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; SMR001397335; C08980; 595-15-3; Olean-12-ene-3,22,23-triol, (3beta,4beta,22beta)-; NCGC00247505-01; HMS2267D19; MLS002473248; (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol; CHEMBL153969 | C30H50O3 | 458.72 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C |
| TCMBANKIN021811 | (+)-n-methyl laurotetanine | C20H23NO4 | 341.4 g/mol | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC | |
| TCMBANKIN022787 | Gitonin | gitonin | C50H82O23 | 1051.17 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1 |
| TCMBANKIN023061 | n-methylplatydesmin | (2R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-4-methoxy-9-methylfuro[2,3-b]quinoline-9-ium | C16H20NO3+ | 274.33 g/mol | CC(C)(C1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O |
| TCMBANKIN023407 | apigenin-6-xyloside-8-glucoside | C26H28O14 | 564.49 | ||
| TCMBANKIN023580 | Gentianol | AC1NSVSL; gentianol; 1-methyl-6-oxo-1,3,4,5-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde | 193.22 | CC1C2=C(CCO1)C(C(=O)N=C2)C=O | |
| TCMBANKIN023798 | Tricornine | tricornine | C27H43NO8 | 509.63 | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C |
| TCMBANKIN024102 | vitexin-2''-o-p-coumarate | C30H26O12 | 578.5 g/mol | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O | |
| TCMBANKIN024118 | 7-stigmasterol | ||||
| TCMBANKIN024125 | Vitexin-7-glucoside | vitexin-7-glucoside | 594.57 | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O | |
| TCMBANKIN024275 | 3-O-2-1-Rhammoside-β-D-glucoside-dopsgenin | ||||
| TCMBANKIN025086 | Vitexin-2-O-p-coumarate | 578.56 | |||
| TCMBANKIN025099 | platycogenic acid c | (3S,4aR,5S,6bR,10R,11S,12aR,14bS)-3,5,10,11-tetrahydroxy-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; Platycogenic acid C; AC1NSZPK; platycogenicacid c | C30H48O6 | 504.7 g/mol | CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C |
| TCMBANKIN025977 | platyphylline | ZINC4817630 | C18H27NO5 | 337.4 g/mol | CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C |
| TCMBANKIN026218 | platygalacic acid | platygalacic acid | |||
| TCMBANKIN026609 | 8-methoxy-4methyl coumarin | C11H10O3 | 190.19 g/mol | CC1=CC(=O)OC2=C1C=CC=C2OC | |
| TCMBANKIN027148 | smilagenin | EINECS 204-775-8; CHEBI:28933; (25R)-Spirostane-3beta-ol; C08913; 5beta-Spirostan-3beta-ol, (25R)- (8CI); (25R)-Spirostan-3.beta.-ol; Isosarsasapogenin; Spirostan-3-ol, (3.beta.,5.beta.,25R)-; Spirostan-3-ol, (3beta,5beta,25R)- (9CI); NSC93747; NSC 93747; (25R)-5beta-Spirostan-3beta-ol; SMP1_000275; SCHEMBL180193; AI3-44895; Isosarsapogenin; (25R)-Spirostan-3beta-ol; 126-18-1; Smilagenin; 5.beta.-Spirostan-3.beta.-ol, (25R)- | C27H44O3 | 416.6 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| TCMBANKIN027275 | Nortangeretin | SMR000528344; 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; 2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one; 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 5,6,7,8,4'-Pentahydroxyflavone; NSC76988; NSC 76988; MLS000736839; C15031; 577-26-4 | C15H10O7 | 302.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O |
| TCMBANKIN027485 | polygalaxanthone iii | MolPort-028-600-142; BG01788579; FT-0772736; N2241; C25H28O15; AKOS032946068; 2-[(2S,3R,4R,5S,6R)-6-({[(2R,3R,4R)-3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OXY}METHYL)-3,4,5-TRIHYDROXYOXAN-2-YL]-1,3,6-TRIHYDROXY-7-METHOXYXANTHEN-9-ONE; AK687129; Polygalaxanthone III; Y0164; 162857-78-5; ZINC85531601 | C25H28O15 | 568.5 g/mol | COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O)O |
| TCMBANKIN027512 | matrine | .alpha.-Matrine; Matrene, (+)-; STOCK1N-36535; Matrine; BRN 0085851; (+)-Matrine; ZINC4196454; 519-02-8; Matridin-15-one (9CI); C10774; NSC146051; 5-24-02-00301 (Beilstein Handbook Reference); NSC 146051 | C15H24N2O | 248.36 | C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
| TCMBANKIN027654 | quercetin-3-o-β-d-glucosyl(1→2)-β-d-galacto-side 7-o-β-d-glucoside | C33H40O22 | |||
| TCMBANKIN028188 | Vitexin-7-glucoside_qt | 432.41 | |||
| TCMBANKIN028780 | kaempferol 3-o-β-d-glucosyl(1→2)-(6''-o-acet-yl)-β-d-galactoside 7-o-β-d-glucoside | C35H42O22 | CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O | ||
| TCMBANKIN030485 | 1-PENTANOL,2-METHYL | InChI=1/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H; (2R)-2-methylpentan-1-ol; ZINC01693356 | C6H14O | 102.17 | CCCC(C)CO |
| TCMBANKIN030511 | l-arginine | (2S)-N-[(1S)-1-[[(1S)-1-(acetylcarbamoyl)-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-hydroxy-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanamide | C56H112N36O11 | 1465.7 g/mol | CC(=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)O |
| TCMBANKIN031084 | Methyl montanate | octacosanoic acid methyl ester; Octacosanoic acid, methyl ester; METHYL OCTACOSANOATE; ZKHOYAKAFALNQD-UHFFFAOYSA-N; Methyl octacosanoate, analytical standard; methyl montanate; I14-19169; Octacosanoic acid,methyl ester; UNII-82S906Z1UB; Montanic acid, methyl ester; montanic acid methyl ester; 74701_FLUKA; AKOS015903301; Octacosanoic acid methyl ester (FAME MIX); C-48195; EINECS 259-754-6; 82S906Z1UB; TR-019630; Octacosanoic acid methyl ester; octacosanoicacidmethylester; ZINC85530556; CTK5A4000; SCHEMBL2349831; AC1L25X7; MFCD00042896; DTXSID60204204; 29684D9A-0749-4587-9B65-AA00AE9C4FC6; FT-0725009; 55682-92-3 | C29H58O2 | 438.77 | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| TCMBANKIN034020 | Naringenin-4'-glucoside-7-neohesperidoside | naringenin-4'-glucoside-7-neohesperidoside | C33H42O19 | 742.7 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O |
| TCMBANKIN035101 | γ-schiyandrin | ||||
| TCMBANKIN036161 | Vitisin C | vitisin c | C56H42O12 | 906.93 | C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)O)C=CC4=CC5=C(C=C4)OC(C5C6=C7C(C(OC7=CC(=C6)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O |
| TCMBANKIN036698 | polygalain acid | ||||
| TCMBANKIN036832 | daidzein | 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.238 | c1([H])c(C(=O)C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)c3c([H])c(O[H])c1[H] |
| TCMBANKIN036837 | vitexin | 49513_FLUKA; vitexin ; vitexin-7-olate anion; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; vitexin-7-olate; vitex-in; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-Glucopyranosyl-apigenin; 521-33-5; CHEBI:16954; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Vitexin; vitexin-7-olate(1-); 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; Apigenin 8-C-glucoside; 8C-hexosyl apigenin; (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol; CHEBI:57963; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D- glucopyranosyl-2-(4-hydroxyphenyl)-; 8-C-beta-glucopyranosylapigenin; 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; NCGC00163642-01; C01460; EINECS 222-963-8; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; vitexin anion; 3681-93-4; AIDS026705; AIDS-026705 | C21H20O10 | 432.378 | c1([H])c(C2=C([H])C(c3c(c([C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c([H])c3O[H])O2)=O)c([H])c([H])c(O[H])c1[H] |
| TCMBANKIN036859 | Sophoridine | .alpha.-Matrine; FT-0696735; MLS000029265; FT-0603438; HMS2269A14; NSC-143088; SR-01000601144-3; HMS1611N16; NSC-318810; Sophoridin; SMR000011610; FT-0628171; (5-beta)-Matridin-15-one; Oprea1_860679; Oprea1_680866; Matridin-15-one, (5-beta)- (9CI); BAS 02913238; Matrene, (+)-; NEW BASE STRUCTURE; MolPort-001-985-870; 6.beta.,7.beta.-Matrine; 2,3,5,6,6a,10,11,11a,11b,11c-Decahydro-4H,7H-3a,7a-diaza-1H-benzo[de]anthracene-8(9H)-one; Matridin-15-one; Dihydro-5-episophocarpine; SR-01000601144; SCHEMBL8260145; NSC318810; dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; W-3063; CHEMBL1733145; regid845916; ZX-AN036540; 83148-91-8; MFCD02735434; AC1L63MI; AB00397099-11; 1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, dodecahydro-; AKOS017259293; ALBB-020900; AKOS000591194; NSC143088; MCULE-1489142812; Q-100583; BB_NC-1021; 5-Epidihydrosophocarpine; ZSBXGIUJOOQZMP-UHFFFAOYSA-N; 6882-68-4; (+)-Matrine; Sophoridine; SC-25809; l-Sophoridine; Dodecahydro-3a,7a-diaza-benzo[de]anthracen-8-one; 4CN-1610 | 248.364 | ||
| TCMBANKIN036904 | isovitexin | beta-D-isovitexin; LMPK12110338; Iso Vitexin; CHEBI:18330; 61383-34-4; C01714; 61838-34-4; 29702-25-8; 6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavone; 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7- dihydroxy-2-(4-hydroxyphenyl)-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 6-Glucosylapigenin; Isovitexin; Apigenin-6-C-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; Apigenin 6-C-glucoside; 38953-85-4; NCGC00163578-01; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; Saponaretin; 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- (VAN); AIDS339232; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 6-C-Glucosylapigenin; AIDS-339232 | C20H18O10 | 418.351 | c1(C2=C([H])C(=O)c(c(O[H])c([C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])O3)c(O[H])c4[H])c4O2)c([H])c([H])c(O[H])c([H])c1[H] |
| TCMBANKIN036913 | naringenin | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; ZINC1785; Spectrum2_000325; 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; (-)-Naringenin; SDCCGMLS-0066570.P001; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; MLS000574861; KBio2_000727; CHEBI:50201; HMS3468H18; ALBB-015405; NCGC00017346-01; BBL010488; AJ-08090; DivK1c_000118; BB 0261506; (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CAS-480-41-1; KBio3_001454; SC-85987; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R)-; AIDS-001417; NINDS_000118; SCHEMBL17166263; Spectrum3_000567; 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; (2R)-naringenin; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; BSPBio_001954; BB_NC-1001; MCULE-5852778653; NCGC00163598-01; BG01564988; MFCD03265520; naringenin ; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-; (2R)-5,7,4'-trihydroxyflavone; AKOS004119880; CHEBI:17846; ST24036200; AC1LDI7C; KBioGR_000508; ZINC00156701; Phytochemistry 8: 127 (1969); R6691; Asahina; 4',5, 7-Trihydroxyflavanone; N1370; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; C00509; 480-41-1; KBio2_003295; (2R)-4',5,7-trihydroxyflavanone; (+)-naringenin; Spectrum_000247; ZB000410; NAR; pelargidanon 1602; (R)-naringenin; IDI1_000118; STK801623; Spectrum5_001423; MolPort-002-507-277; Spectrum4_000124; 17654-19-2; KBio1_000118; KBioSS_000727; (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R)-4',5,7-trihydroxyflavan-4-one; NCGC00016457-01; STOCK1N-05989; KBio2_005863; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; AIDS001417; BG00617674; TNP00287; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; SPECTRUM1500746; YSO1; SMR000156272; 4',5,7-triOH-Flavone; SPBio_000329 | C15H12O5 | 272.253 | c1(O[H])c([H])c([H])c([C@]2([H])Oc(c([H])c(O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
| TCMBANKIN037156 | lilagenin | C27H42O4 | 430.62 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)O)O)C)C)C)OC1 | |
| TCMBANKIN037499 | Homoorientin | LMPK12110469; SCHEMBL1706772 | 448.4 g/mol | ||
| TCMBANKIN037539 | Yuccagenin | 511-97-7; Yuccagenin; Spirost-5-ene-2,3-diol, (2alpha,3beta,25R)- | 430.62 | ||
| TCMBANKIN037591 | Platycoside J | 1079 | |||
| TCMBANKIN037873 | trigoneoside xiib | C45H74O18 | 903.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5=CC(CCC45C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN037909 | Trigofoenoside D1 | ||||
| TCMBANKIN038032 | formononetin | Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 | C16H12O4 | 268.264 | C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
| TCMBANKIN038641 | platycoside L | C42H68O17 | 845 | [C@@]1([H])(O[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[H])=O)[C@]([H])(O[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])O[H])(C([H])([H])O[H])[C@@]1([H])O[C@]6([H])O[C@]([H])(C([H])([H])O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H ])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H] | |
| TCMBANKIN038882 | Spinoside A | acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-3-tetrahydropy; acetic acid [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2-hydroxy-3-keto-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydrop; AC1O3E1M; 119626-74-3; C08809; [(3S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxyoxan-3-yl] acetate; [(3S,4S,5R,6S)-5-acetoxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-tetrahydropyran-3-yl] ace; spinoside a; [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-oxan-3-yl] ethanoate | 164.16 | ||
| TCMBANKIN039269 | Schisandrol | schisandrol | C24H32O7 | 432.51 | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)O)OC)OC)OC)OC)O |
| TCMBANKIN039438 | platycoside H | C58H96O28 | 1241 | [C@@]1([H])(O[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@]([H])(OO[H])[C@]3([H])OC([H])([H] )[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]5([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@]4([H])O[H])[C@]([H]) (O[H])C6([H])[H])[C@@]67C([H])([H])[H])[C@@]7(C([H])([H])[H])C([H])([H])C8([H])[H])[C@]8([H])[C@@](C([H])([H])O[H])(C([H])([H])[H])[C@@]1([H])O[C@]9([H])O[C@]([H])(C([H])([H])O[C@]%10([H])O[C@]([H])(C ([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]%10([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])O[H] | |
| TCMBANKIN039637 | Trigonegenin A | ||||
| TCMBANKIN039722 | orientin | 28608-75-5; Orientin; CHEBI:7781; luteolin-8-C-beta-D-glucopyranoside; Lutexin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; AIDS026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; Luteolin 8-C-glucoside; 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-glucosylluteolin; 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; C10114; LMPK12110470; AIDS-026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-; Orientin (Flavone); Luteolin 8-C-beta-D-glucopyranoside; Luteolin 8-glucoside; 8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone | C21H20O11 | 448.38 | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| TCMBANKIN039802 | Trigofoenoside G1 | ||||
| TCMBANKIN039969 | trigoneoside xiia | C45H74O18 | 903.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5=CC(CCC45C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN040073 | Trigoneoside IIIa | 905.1 g/mol | |||
| TCMBANKIN040355 | trigoneoside ib | C44H74O19 | 907 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN040685 | Trigofoenoside F | 1065.2 g/mol | |||
| TCMBANKIN040706 | trigofoenoside g | C56H92O27 | 1197.3 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | |
| TCMBANKIN040817 | trigoneoside xa | C45H76O19 | 921.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN040831 | tricin | NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate | C17H14O7 | 330.289 | c1(O[H])c(OC([H])([H])[H])c([H])c(C2=C([H])C(=O)c3c(c([H])c(O[H])c([H])c3O[H])O2)c([H])c1OC([H])([H])[H] |
| TCMBANKIN040954 | polygalacin D | polygalacin d; 66663-91-0; CHEMBL1641863 | C57H92O27 | 1209 | [C@@]1([H])(O[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[C@]([H])(OC3([H])[H])[C@]([H])(O [C@]([H])(O[C@@]4([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[C@]([H])(OC5([H])[H])[C@]([H])(O[H])[C@@]([H])(O[C@]([H])(OC([H])([H])[C@]6(O[H])C([H])([H])O[H])[C@]6([H])O[H])[C@]5([H ])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])=O)[C@]([H])(O[H])C7([H])[H])[C@@]78C([H])([H])[H])[C@@]8(C([H])([H])[H])C([H])([H])C9([H])[H])[C@]9([H])[C@@](C([H])([H])O[H])(C([H])([H])[H])[C@@]1([H])O[C@]([ H])(O[C@]%10([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]%10([H])O[H] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041378 | 3''-O-Acetylplatycodin D2 | 1429 | |||
| TCMBANKIN041393 | trigofoenoside d | C51H84O23 | 1065.2 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O | |
| TCMBANKIN041398 | Platycoside K | 845 g/mol | |||
| TCMBANKIN041588 | Trigonegenin B | ||||
| TCMBANKIN042389 | 2''-o-acetylplatycodin d2 | C65H104O34 | 1429 | B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CCC)NC(=O)C4CC(CN4C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)N5CC6=C(C5)C(=CC=C6)F | |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN042876 | polygalacin D2 | polygalacin d2; 66663-92-1; Polygalacin D2; CHEMBL1641866 | C63H102O32 | 1371.5 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(CO1)(CO)O)O)O |
| TCMBANKIN043132 | beta-methyl-d-glucoside | .beta.-d-Methylglucopyranoside; Methyl b-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol; DB-055468; 709-50-2; FT-0628705; 75398-85-5; 7804AF; NSC 403457; beta-d-Methylglucopyranoside; CHEMBL132186; methyl beta-(D)-glucopyranoside; UNII-54L5T38NI8 component HOVAGTYPODGVJG-XUUWZHRGSA-N; CM-1331; Methyl beta-d-glucopyranoside hemihydrate; Methyl .beta.-D-glucoside; beta-Methyl-D-glucoside hemihydrate; CHEBI:320055; 27939-29-3; BG01510468; KS-000007XU; DB01642; beta-Methylglucoside; Glucopyranoside, methyl, .beta.-D-; Methyl beta-D-glucopyranoside, >=99% (HPLC and GC); M0779_SIGMA; EINECS 211-909-9; BIM8001; Methyl-beta-D-glucopyranoside hemihydrate, >=99.0% (sum of enantiomers, HPLC); Methyl b-D-glucopyranoside hemihydrate; TL8006618; 1-O-Methyl-beta-D-glucopyranoside; Epitope ID:149560; beta-Methyl-D-glucoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 30326-25-1; 7000-27-3; SCHEMBL166332; MGL; 709-50-2 Methyl beta-d-glucopyranosi de; METHYL ?-D-GLUCOSIDE; C-30724; M0709; FT-0628867; MFCD00149442; O1-Methyl-Glucose; HT1198; 1-O-methyl-beta-D-glucopyranose; W-200489; AJ-49843; Methyl beta-D-glucoside hydrate; 1-O-Methyl-.beta.-D-glucopyranoside; Methyl beta-D-glucopyranoside; GC7084; β-methyl-d-glucoside; b-methyl-D-glucoside; 97-30-3; methyl -d-glucopyranoside; Methyl beta-D-glucoside; CC-30725; FCH920155; Methyl-alpha-D-glucopyranoside; Me-ss-Glc; ZX-AFC000308; .beta.-Methyl-(d)-glucoside; AKOS006343694; Methyl b-D-glucoside; beta-D-Glucopyranoside, methyl; HOVAGTYPODGVJG-XUUWZHRGSA-N; Methyl-b-D-glucopyranoside hemihydrate; AK481297; ZINC4262103; Methyl--D-glucoside hemihydrate; MFCD00006602; Methyl-beta-D-glucoside; Methyl .beta.-D-glucopyranoside; Methyl-beta-D-glucopyranoside; methyl-beta-D-glucopyranoside hemihydrate; AC1L9HNF | C7H14O6 | 194.18 g/mol | COC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN043179 | trigofoenoside f1 | C37H64O6Si | CCOC(COC1(CCC2C1(CCC3C2CCC4C3(CCC(C4)OCCO[Si](C)(C)C(C)(C)C)C)C)C5=COC=C5)OCC | ||
| TCMBANKIN043251 | trigoneoside ia | C44H74O19 | 907 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN043554 | platycoside i | C64H104O33 | 1401.5 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O | |
| TCMBANKIN043990 | Hiyodorilactone A | hiyodorilactone a; MEGxp0_000031; (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester; (E)-4-hydroxy-2-methylol-but-2-enoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester; [(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate; C09475 | 420.45 | ||
| TCMBANKIN044063 | methyl 3-O-β-laminaribiosyl polygalacate | methyl 3-o-β-laminaribiosyl polygalacate; methyl 3-o-beta-laminaribiosyl polygalacate | C43H70O16 | 859.18 | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C(=O)OC)C |
| TCMBANKIN044484 | platycoside F | platycoside G2; platycoside f | C47H76O20 | 961.1 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O |
| TCMBANKIN044488 | Trigoneoside Va | 1521.6 g/mol | |||
| TCMBANKIN044848 | platycodin C | CHEMBL1641860; 2'O-Acetylplatycodin D; 3''O-acetylplatycodin D; 66779-35-9; C17487; CHEBI:70437; Platycodin C | C58H92O29 | 1253 | C1(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C(=C([H])C([H])([H])[C@]([H])([C@@](C([H])([H])[H])(C([H])([H])[C@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H ])[C@@]2([H])O[H])C3(C([H])([H])O[H])C([H])([H])O[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])[C@@]6([H])O[H])[C@]6(C(O[C@]7([H])OC([H])([H])[C@]([H])(O[ H])[C@]([H])(O[H])[C@@]7([H])O[C@]8([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@@]([H])(O[C@@]%10([H])[C@]([H])(O[H])[C@](C([H])([H])O[H])(O[H])C([H])([H])O%10)[C@]([H])(O[H ])C([H])([H])O9)[C@@]([H])(OC(C([H])([H])[H])=O)[C@@]8([H])O[H])=O)C([H])([H])C1([H])[H] |
| TCMBANKIN045116 | Platycodin A | 3'-O-Acetylplatycodin D; C17443; Platycodin A; 66779-34-8; platycodin a ; CHEMBL1641861; CHEBI:70438 | 1267.4 g/mol | ||
| TCMBANKIN045170 | trigoneoside vb | C68H112O37 | 1521.6 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | |
| TCMBANKIN045174 | Trigoneoside VIII | 889 g/mol | |||
| TCMBANKIN045213 | platycoside A | platycoside a | C58H94O29 | 1255 | [C@@]1([H])(O[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[C@]([H])(OC3([H])[H])[C@]([H])(O [C@]([H])(O[C@@]4([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[C@]([H])(OC5([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])=O)[C@]([H])(O[H])C6( [H])[H])[C@@]67C([H])([H])[H])[C@@]7(C([H])([H])[H])C([H])([H])C8([H])[H])[C@@]8([H])C(C([H])([H])O[H])(C([H])([H])O[H])[C@@]1([H])O[C@]([H])(O[C@]9([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@] ([H])(O[C@]%10([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]%10([H])O[H])[C@]9([H])O[H] |
| TCMBANKIN045447 | trigonella-glucoside a | C45H72O17 | |||
| TCMBANKIN045476 | vicenin-2 | 5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside; MLS000575019; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; Apigenin-6,8-di-C-glycoside; SMR000232371; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; C10195; vicenin- 2; 23666-13-9; vicenin-2; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one | C27H30O15 | 595 | c1([C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c(O[H])c(C(=O)C([H])=C(c3c([H])c([H])c(O[H])c([H])c3[H])O4)c4c([C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[ H])[C@]([H])(O[H])[C@@]5([H])O[H])c1O[H] |
| TCMBANKIN045515 | trigoneoside 1 | C51H86O23 | |||
| TCMBANKIN045613 | trigofoenoside a | C45H74O18 | 903.1 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN046023 | 7alpha,21S,25-Trihydroxy-3beta-acetoxy-21S,23R-epoxy-9(11)-en-dammarane | [(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; AC1NT14F; 7α,21s,25-trihydroxy-3β-acetoxy-21s,23r-epoxy-9(11)-en-dammarane; 7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane | C32H52O6 | 532.84 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@]([H])([C@@]([H])([C@]2([H])[C@@]([H])(O[H])O[C@@]([H])(C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C3([H] )[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])OC(=O)C([H])([H])[H] |
| TCMBANKIN046408 | isoorientin | isoorientin 7-olate; isoorientin(1-); Isoorientin; AIDS-026707; 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; C01821; NCGC00163566-01; (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 4261-42-1; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; AIDS026707; CHEBI:58333; CHEBI:17965; (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol; 6C-hexosyl luteolin; Homoorientin; isoorientin anion; isoorientin ; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; Luteolin 6-C-glucoside | C21H20O11 | 448.377 | c12c(OC(c3c([H])c([H])c(O[H])c(O[H])c3[H])=C([H])C1=O)c([H])c(O[H])c([C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)c2O[H] |
| TCMBANKIN046640 | trigofoenoside b | C45H76O19 | 921.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN047038 | trigoneoside xib | C44H74O19 | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | ||
| TCMBANKIN047245 | Trigoneoside Xb | 921.1 g/mol | |||
| TCMBANKIN047374 | 3-O-β-D-Glucopyranosyl platycodigenin | ||||
| TCMBANKIN047479 | Vicenin 1 | 564.5 g/mol | |||
| TCMBANKIN047541 | Trigoneoside Iia | 891 g/mol | |||
| TCMBANKIN047833 | 25-Anhydroalisol A 11-acetate | AC1NSXHG; [(8S,9S,10S,11S,14R)-17-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-11-yl] acetate | |||
| TCMBANKIN048655 | Graecunin E | 1047.2 g/mol | |||
| TCMBANKIN049325 | trigofoenoside e | C50H82O22 | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O | ||
| TCMBANKIN049422 | oxysophocarpine | OXYSOPHOCARPINE | C15H22N2O2 | 262.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-] |
| TCMBANKIN049629 | trigoneoside iiib | C45H76O18 | 905.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN050140 | trigofoenoside c | C25H35NO7 | CCNC(=O)OC1C(CC2C3(C14C(O4)CC5C3(CCC6=C5COC6=O)C)O2)(C(C)C)OCC | ||
| TCMBANKIN050331 | Graecunin G | 885 g/mol | |||
| TCMBANKIN050447 | Trigoneoside IIb | 891 g/mol | |||
| TCMBANKIN058004 | trigonelline | Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline | C7H7NO2 | 137.14 g/mol | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058071 | gallic acid 3- o -(6-galloylglucoside) | Gallic acid-3-O-(6'-O-galloyl)glucoside; gallic acid-3-O-(6'-O-galloyl)-glucoside; 3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl]oxy]benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid; gallicacid-3-o-(6'-o-galloyl)glucoside; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl]oxy-benzoic acid; gallic acid-3-o-(6'-o-galloyl)-glucoside | C20H20O14 | 484.36 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| 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 |
| TCMBANKIN058229 | daidzein | Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.24 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| TCMBANKIN058601 | oxysophocarpine | N1280; AC-7981; SCHEMBL15133349; 26904-64-3; N-Oxysophocarpine; n-oxysophocarpine; AKOS015965398; 2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #; QMGGMESMCJCABO-UHFFFAOYSA-N; Oxysophocarpine; Sophocarpine, N-oxide; 6-OXO-7,13-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADEC-4-EN-13-IUM-13-OLATE; AC1LDHOM; FT-0689395; sophocarpine n-oxide; N-oxysophocarpine; OXYSOPHOCARPINE | C15H22N2O2 | 262.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-] |
| TCMBANKIN058603 | sophocarpine | Sophocarpine; ZINC5282946; AIDS-122681; AIDS122681; 145572-44-7 (MONOHYDRATE); (-)-(7aS,13aR,13bR,13cS)-2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one; Matridin-15-one, 13,14-didehydro-; Matridin-15-one, 13,14-didehydro- (9CI); (-)-Sophocarpine; 1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, 2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, (7aS,13aR,13bR,13cS)-; BB_NC-1020; 13,14-Didehydromatridin-15-one; (-)-sophocarpine | C15H22N2O | 246.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
| TCMBANKIN058652 | irilone | 9-hydroxy-7-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone; 41653-81-0; irolone; 9-hydroxy-7-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one; Irilone; C10467; Irolone | C16H10O6 | 298.25 g/mol | C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O |
| TCMBANKIN058671 | Thiarubrine A | 3-(5-Hexene-1,3-diynyl)-6-(1-propynyl)-1,2-dithiin; AC1Q28JD; DVV5W0EG1Z; Thiarubrin(e) A; CTK2F4401; DTXSID80212947; C08461; SCHEMBL1653142; 63543-09-9; 1,2-Dithiin, 3-(5-hexene-1,3-diynyl)-6-(1-propynyl)-; AIDS-004961; thiarubrin a; UNII-DVV5W0EG1Z; 3-(hexa-5-en-1,3-diyn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine; AC1L2HZ7; 3-hex-5-en-1,3-diynyl-6-prop-1-ynyl-1,2-dithiine; 1-(2-Methyleth-1-yn)-4-(hex-1,3-diyn-5-ene)-2,3-dithiacyclohex-1,3-diene; 3-hex-5-en-1,3-diynyl-6-prop-1-ynyldithiine; CHEBI:9538; thiarubrine a; 3-hex-5-en-1,3-diynyl-6-prop-1-ynyl-dithiine; AIDS004961; thiarubrin a | C13H8S2 | 228.3 g/mol | CC#CC1=CC=C(SS1)C#CC#CC=C |
| 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 |
| TCMBANKIN058924 | brevifolin | brevifolin ; BSPBio_001701; Brevifolin; Brevifolin (VAN); AQ-358/42007313; SPBio_000566; 4,6-Dimethoxy-2-hydroxyacetophenone; NSC17392; SDCCGMLS-0066937.P001; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one; 477-94-1; 90-24-4; 2'-Hydroxy-4',6'-dimethoxyacetophenone; KBio2_006193; Spectrum2_000463; AIDS-027830; Brevifolin[Geranium]; ST5308751; Xanthoxyline; C10726; Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI); KBioGR_002137; CTK8I8351; KBio2_003625; AI3-26010; SpecPlus_000713; KBio1_001753; Phloracetophenone dimethyl ether; DivK1c_006809; 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone; AIDS027830; 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone; Spectrum5_000237; Spectrum_000577; 2-Hydroxy-4,6-dimethoxyacetophenone; KBioSS_001057; Brevifolin (Zanthoxylum); SCHEMBL10339420; Phloroacetophenone 2,4-dimethyl ether; Spectrum4_001499; NSC 17392; KBio3_001201; ZINC00157077; Acetophenone der.; SPECTRUM200441; Acetophenone, 2'-hydroxy-4',6'-dimethoxy-; EINECS 201-978-3; Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-; Xanthoxylin; 630586_ALDRICH; 1,2-Dihydro-7,8,9-trihydroxycyclopenta[c][2]benzopyran-3,5-dione; 2,4-Di-O-methylphloroacetophenone; 2′-Hydroxy-4′,6′-dimethoxyacetophenone; NCGC00095824-01; Spectrum3_000181; KBio2_001057;xanthoxylin;RTR-030636; SDCCGMLS-0066937.P001; AKOS015856339; FT-0612544; SpecPlus_000713; AI3-26010; KB-146755; ACMC-209r5b; 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone; 4, 6-Dimethoxy-2-hydroxyacetophenone; A-8021; 4',6'-dimethoxy-2'-hydroxyacetophenone; 2-Hydroxyl-4,6-dimethoxy-acetophenone; NCGC00095824-02; Spectrum4_001499; 1-Acetyl-2-hydroxy-4,6-dimethoxybenzene; MCULE-4292389127; D2683; ST24037116; 2,4-Di-O-methylphloroacetophenone; Spectrum3_000181; NCGC00095824-01; KBio2_001057; (2-hydroxy-4,6-dimethoxy-phenyl)-ethanone; SR-05000002434; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one; Spectrum2_000463; KBio2_006193; ST098711; Xanthoxyline; KS-000012GK; C10726; FCH1116672; 4CN-0948; ZB006545; ZINC157077; Spectrum5_000237; OR22374; NSC 17392; CHEBI:10070; KBio3_001201; Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-; AJ-14872; 2-Hydroxy-4, 6-dimethoxyacetophenone; BSPBio_001701; AB1004782; Brevifolin; SR-05000002434-1; FBUBVLUPUDBFME-UHFFFAOYSA-N; Brevifolin (VAN); 4,6-Dimethoxy-2-hydroxyacetophenone; CTK3J0177; 2'-Hydroxy-4',6'-dimethoxyacetophenone; TRA0050729; AK135500; MFCD00017243; NSC-17392; I14-19971; KBioGR_002137; DTXSID10237981; KBio2_003625; AC1Q5D4Z; KBio1_001753; Acetophenone,6'-dimethoxy-; DivK1c_006809; KBioSS_001057; Brevifolin (Zanthoxylum); BRD-K12260308-001-02-6; SPECTRUM200441; Acetophenone der.; 2-Acetyl-3,5-dimethoxyphenol; SMR001306755; Xanthoxylin; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone #; AQ-358/42007313; SPBio_000566; NSC17392; Brevifolin; 4',6'-Dimethoxy-2'-hydroxyacetophenone; 90-24-4; 2'-hyroxy-4',6'-dimethoxyacetophenone; SBB071509; Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI); SCHEMBL44708; AC1L25UT; MLS002207182; ANW-39453; 1-(2-hydroxy-4,6-dimethoxyphenyl)-ethanone; Phloracetophenone dimethyl ether; UNII-Z8RSY5TZPA; ZX-AT021196; Spectrum_000577; 2-Hydroxy-4,6-dimethoxyacetophenone; 2''-HYDROXY-4'',6''-DIMETHOXYACETOPHENONE; AX8000172; Phloroacetophenone 2,4-dimethyl ether; CHEMBL450288; 6-Methoxypaeonol; SC-69796; 2'-Hydroxy-4',6'-dimethoxyacetophenone, 97%; Acetophenone, 2'-hydroxy-4',6'-dimethoxy-; EINECS 201-978-3; Z8RSY5TZPA; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone; CCG-38702; MolPort-001-762-282; 2-hydroxy-4,6-dimethoxyacetophenone; TR-030636; brevifolin(van); 2'-Hydroxy-4',6'-dimethoxy-Acetophenone | C10H12O4 | 196.2 | CC(=O)C1=C(C=C(C=C1OC)OC)O |
| TCMBANKIN059131 | isooxypeucedanin | pabulenone; isooxypeucedanine | C16H14O5 | 286.28 g/mol | CC(C)C(=O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| TCMBANKIN059591 | methyl 3-O-β-D-glucopyranosyl polygalacate | 680.97 | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C(=O)OC)C | ||
| TCMBANKIN059680 | 6-aldehydo-isoophipogonone a | C19H14O7 | 354.315 | CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O | |
| 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] | |
| TCMBANKIN060181 | azukisaponin v | C48H78O18 | 943.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060187 | platycodin d2 | C57H92O28 | 1225.3 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O | |
| TCMBANKIN060190 | deapio platycodin d | C52H84O24 | 1093.2 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C3CC(CC4C3C(CC5(C4=CCC6C5(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C)O)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O | |
| TCMBANKIN060251 | trigofoenoside c1 | C36H56O13 | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O | ||
| TCMBANKIN060353 | trigofoenoside d | C51H84O23 | 1065.2 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O | |
| TCMBANKIN060354 | trigonelloside c | C51H84O22 | 1049.2 g/mol | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O | |
| TCMBANKIN060491 | EINECS 213-897-0 | C29H44O4 | 456.7 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1 | |
| TCMBANKIN060507 | gitogenin | C27H44O4 | 432.64 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 | |
| TCMBANKIN060512 | smilagenin | C27H44O3 | 416.6 g/mol | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 | |
| TCMBANKIN060677 | alpha-spinasteryl-β-d-glucoside | CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(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 | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061496 | calycosin | HSDB 8109; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one; CHEBI:17793; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 09N3E8P7TA; calycosin (OLD); 20575-57-9; HY-N0519; ZINC6018563; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one; 3'-hydroxy-formononetin; calycosin ; LMPK12050056; MEGxp0_001325; BRD-K05039497-001-01-6; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 3',7-dihydroxy-4'-methoxy-isoflavone; AKOS015896719; UNII-09N3E8P7TA; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-; 3', 7-dihydroxy-4'-methoxyisoflavone; 575C579; C01562; HMS2268B05; C-17889; MolPort-001-741-659; Calycosin; X1103; SCHEMBL73013; Q-100254; AC1NQX1G; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-chromenone; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone; CHEMBL241608; CS-3715; ZZAJQOPSWWVMBI-UHFFFAOYSA-N; BG01576591; MLS000876988; DTXSID70174580; 3',7-dihydroxy-4'-methoxyisoflavone; ACon1_000650; I07-0176; NP-004576; NCGC00169494-01; 3-(4-methoxy-3-oxidanyl-phenyl)-7-oxidanyl-chromen-4-one; MCULE-7559555984; 7,3'-dihydroxy-4'-methoxyisoflavone; A814711; N1412; 3'-hydroxyformononetin; FT-0630465; MFCD00210598; SMR000440659; AN-8397; AC-8043; 3',7-dihydroxy-4'-methoxy-isoflavone | C16H12O5 | 284.26 g/mol | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
| 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 |
| TCMBANKIN061530 | scopolin | scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside | C16H18O9 | 354.31 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061753 | tricin | 5,7,4′-Trihydroxy-3′,5′-dimethoxyflavone; NSC294579; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-chromenone; AIDS-120640; 3',5'-O-dimethyltricetin; CHEBI:60016; 3',5'-di-O-methyltricetin(1-); 5,7,4-trihydroxy-3, 5-dimethoxyflavone; 3',5'-di-O-methyltricetin; 520-32-1; Tricetin 3',5'-di-methyl ether; Tricin; C10193; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one; 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one; AIDS120640; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one; NSC 294579; 4',5,7-trihydroxy-3',5'-dimethoxyflavone; 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-olate | C17H14O7 | 330.29 | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
| TCMBANKIN061754 | tricin- 7- O- β- D- glucoside | tricin-7-O-β-D-glucoside; tricin-7-o-beta-d-glucoside; tricin-7-o-beta-d-glucoside; Tricin 7-O-glucopyranoside; tricin-7-o-β-d-glucopyranoside; Tricin-7-O-beta-D-glucopyranoside; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; tricin-7-o-beta-d-glucopyranoside | C23H24O12 | 492.4 g/mol | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN061845 | olmelin | Biochanin-A; NSC123538; Genistein 4-methyl ether; 5,7-dihydroxy-3-(4-methoxyphenyl)chromone; 5,7-dihydroxy-3-(4-methoxyphenyl)-4-chromenone; Genistein 4′-methyl ether; CCRIS 5449; KBioGR_002274; Isoflavone, 5,7-dihydroxy-4'-methoxy- (8CI); Spectrum4_001927; KBio2_005811; BSPBio_002776; Spectrum3_001098; KBio1_001027; NSC 123538; NCGC00017369-01; NINDS_001027; Spectrum2_000047; ST057580; Biochanin A; 5,7-Dihydroxy-4'-methoxyisoflavone; NCGC00022428-03; AIDS012225; C00814; KBioSS_000675; KBio3_001996; SMR000059116; Spectrum5_001624; MLS000069443; AIDS-012225; CHEBI:17574; NCI60_000558; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; IDI1_001027; KBio2_003243; 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-5,7-dihydroxy isoflavone; SPECTRUM10100003; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; SPBio_000173; Spectrum_000195; EINECS 207-744-7; D2016_SIGMA; Biochanin; 4'-Methylgenistein; SMP1_000045; Isoflavone, 5,7-dihydroxy-4'-methoxy-; KBio2_000675; ZINC00016666; 5,7-Dihydroxy-4′-methoxyisoflavone; NCGC00022428-05; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; Oprea1_038096; TNP00319; Biochanine A; 491-80-5; DivK1c_001027 | C16H12O5 | 284.26 | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
| TCMBANKIN061903 | methyl d-galactoside | .beta.-d-Methylglucopyranoside; Methyl b-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol; DB-055468; 709-50-2; FT-0628705; 75398-85-5; 7804AF; NSC 403457; beta-d-Methylglucopyranoside; CHEMBL132186; methyl beta-(D)-glucopyranoside; UNII-54L5T38NI8 component HOVAGTYPODGVJG-XUUWZHRGSA-N; CM-1331; Methyl beta-d-glucopyranoside hemihydrate; Methyl .beta.-D-glucoside; beta-Methyl-D-glucoside hemihydrate; CHEBI:320055; 27939-29-3; BG01510468; KS-000007XU; DB01642; beta-Methylglucoside; Glucopyranoside, methyl, .beta.-D-; Methyl beta-D-glucopyranoside, >=99% (HPLC and GC); M0779_SIGMA; EINECS 211-909-9; BIM8001; Methyl-beta-D-glucopyranoside hemihydrate, >=99.0% (sum of enantiomers, HPLC); Methyl b-D-glucopyranoside hemihydrate; TL8006618; 1-O-Methyl-beta-D-glucopyranoside; Epitope ID:149560; beta-Methyl-D-glucoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 30326-25-1; 7000-27-3; SCHEMBL166332; MGL; 709-50-2 Methyl beta-d-glucopyranosi de; METHYL ?-D-GLUCOSIDE; C-30724; M0709; FT-0628867; MFCD00149442; O1-Methyl-Glucose; HT1198; 1-O-methyl-beta-D-glucopyranose; W-200489; AJ-49843; Methyl beta-D-glucoside hydrate; 1-O-Methyl-.beta.-D-glucopyranoside; Methyl beta-D-glucopyranoside; GC7084; β-methyl-d-glucoside; b-methyl-D-glucoside; 97-30-3; methyl -d-glucopyranoside; Methyl beta-D-glucoside; CC-30725; FCH920155; Methyl-alpha-D-glucopyranoside; Me-ss-Glc; ZX-AFC000308; .beta.-Methyl-(d)-glucoside; AKOS006343694; Methyl b-D-glucoside; beta-D-Glucopyranoside, methyl; HOVAGTYPODGVJG-XUUWZHRGSA-N; Methyl-b-D-glucopyranoside hemihydrate; AK481297; ZINC4262103; Methyl--D-glucoside hemihydrate; MFCD00006602; Methyl-beta-D-glucoside; Methyl .beta.-D-glucopyranoside; Methyl-beta-D-glucopyranoside; methyl-beta-D-glucopyranoside hemihydrate; AC1L9HNF;beta-methyl-d-glucoside;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; 66950_FLUKA; O1-METHYL-GLUCOSE; (2R,3R,4S,5S,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol; beta-Methyl-D-glucoside; Methyl-beta-D-glucopyranoside; M0779_SIGMA; ZINC04262103; 7000-27-3; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;MGL;1-O-methyl-α-D-cymadropyranoside | C7H14O6 | 194.18 g/mol | COC1C(C(C(C(O1)CO)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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