Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003878 |
ID: | TCMBANKHE003878 |
植物拉丁名: |
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功能与主治: | Tuberculosis and hemoptysis, steaming bone tidal fever, dizziness and tinnitus, limp aching lumbus and knees, damp-heat jaundice, vaginal discharge, dysentery, wind-heat common cold, red eyes with gall, swollen welling abscess and sores. |
药用植物名: | 十大功劳叶 |
药用部位: | leaf |
药味: | Cold; Bitter |
经络: | Large Intestine; Stomach; Liver |
治疗类型: | 清热解毒药 |
TCM_ID_id: | 3256 |
SymMap_id: | 369 |
TCMSP_id: | 649 |
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 |
|---|
| TCMBANKIN001982 | berbarmine | C37H40N2O6 | 608.72 | ||
| TCMBANKIN003934 | alisol a 24-acetate | C32H52O6 | 532.8 g/mol | CC(CC(C(C(C)(C)O)OC(=O)C)O)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1)C)C)(C)C)C)O | |
| TCMBANKIN004385 | javoricin | Javoricin; 172588-18-0; CHEMBL451359 | C35H64O7 | 596.9 g/mol | CCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCCCC(CC2=CC(OC2=O)C)O)O)O)O |
| 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 |
| TCMBANKIN007814 | 24(e)-3,4-seco-9βh-lanosta-4(28),7,24-triene-3,26-dioicacid | C30H46O4 | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C | ||
| TCMBANKIN009187 | bruceolide | HMS2227D12; CHEMBL1564136; NCGC00247554-01; SMR000445627; MLS000728513 | C21H26O10 | 438.43 | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)O |
| TCMBANKIN009328 | METHYL 13-METHYLPENTADECANOATE | C17H34O2 | 270.5 g/mol | CCC(C)CCCCCCCCCCCC(=O)OC | |
| TCMBANKIN010473 | quassinoides | ||||
| TCMBANKIN010774 | brutoxin | ||||
| TCMBANKIN011500 | anticancersimaroubolide pmv70p 691-137 | C20H26O8 | |||
| TCMBANKIN012134 | yadanzioside P | yadanzioside p | C34H46O16 | 710.72 | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN016138 | semialaticacid | CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NCCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C5=CC=C(C=C5)NCC6=CN=C7C(=N6)C(=O)N=C(N7)N | |||
| TCMBANKIN016871 | macedonicacid | macedonic acid | C30H46O4 | 470.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C5CC(C(CC5(CCC43C)C)O)(C)C(=O)O)C)C |
| TCMBANKIN017221 | linoleic acid | (9E,12E)-octadeca-9,12-dienoate; AC1NYW3V; sodium (9E,12E)-octadeca-9,12-dienoate; BDBM22336; 9,12-octadecadienoate; linoleicacid | C18H31O2- | 279.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)[O-] |
| TCMBANKIN018971 | dillapiol | 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)- (9CI); 4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole; AC1L1URE; STK689576; BRN 0196037; 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-; SCHEMBL310992; AKOS005602275; 4,5-dimethoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; Apiole (dill); Dillapiole; 6-Allyl-4,5-dimethoxy-1,3-benzodioxole; 4,5-dimethoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; 4,5-dimethoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 5-Allyl 6,7-dimethoxy 1,3-benzodioxole; SBB012709; CHEMBL470874; 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole; CTK5J3926; ZB002173; 1-Allyl-2,3-dimethoxy-4,5-methylenedioxybenzene; Dill apiole; MCULE-4540133904; 1-Allyl-2,3-dimethoxy-4,5-(methylenedioxy)-Benzene; 438CJQ562D; Dillapiol; 4,5-Dimethoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; BENZENE, 1-ALLYL-2,3-DIMETHOXY-4,5-(METHYLENEDIOXY)-; LIKYNOPXHGPMIH-UHFFFAOYSA-N; Dill apiol; CHEBI:70453; ST097613; Parsley fruit oleoresin; 6-Allyl-4,5-dimethoxy-1,3-benzodioxole #; C10449; Parsley oleoresin; 8025-95-4; LS-29054; Apiol, liquid; UNII-438CJQ562D; BDBM50242106; ZINC57585; 484-31-1; Dillapiole, analytical standard; Resins, oleo-, parsley | C12H14O4 | 222.24 g/mol | COC1=C(C2=C(C=C1CC=C)OCO2)OC |
| TCMBANKIN019593 | javanicin | 1,4-Naphthalenedione, 5,8-dihydroxy-6-methoxy-2-methyl-3-(2-oxopropyl)-; 3-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone; Javanicin; AC1L1ULH; YNR51WFW2R; AC1Q5CGN; 5,8-Dihydroxy-2-methoxy-6-methyl-7-(2-oxopropyl)naphthalene-1,4-dione; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-; LS-95612; BRN 2296055; CHEMBL1224810; AK555254; CTK1D6158; 7-acetonyl-5,8-dihydroxy-2-methoxy-6-methyl-naphthalene-1,4-dione; Javanicin (Fusarium); 5,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthalenedione; ACM476459; 4-08-00-03646 (Beilstein Handbook Reference); SCHEMBL3147213; 476-45-9; JAVANICIN; UNII-YNR51WFW2R; HSDB 3501; AKOS030530799 | C15H14O6 | 290.27 g/mol | CC1=C(C(=C2C(=C1O)C(=O)C=C(C2=O)OC)O)CC(=O)C |
| TCMBANKIN021229 | broceaketolicacid | C23H30O11 | |||
| TCMBANKIN021706 | ISOCYCLOCITRAL | C20H32O2 | 304.5 g/mol | CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C | |
| TCMBANKIN026174 | yandanzioside n & o | ||||
| TCMBANKIN027544 | yaxanzioolide d | ||||
| TCMBANKIN029614 | 4-ethoxymethylphenyl-4'-hydroxybenzylether | C16H18O3 | CCOCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O | ||
| TCMBANKIN031727 | dimelicacid | dimelic acid | C7H12O4 | C(CCC(=O)O)CCC(=O)O | |
| TCMBANKIN031966 | bruceine g | bruceine G | C20H26O8 | 394.4 g/mol | CC1=CC(=O)CC2(C1C(C3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C)O)O)O)C |
| TCMBANKIN032113 | amarolides | ||||
| TCMBANKIN033568 | cleomiscosin b | CTK2I0081; 2,3-Dihydro-3alpha-(hydroxymethyl)-2beta-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one; ZINC13400406; 9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-, trans-(+-)-; SCHEMBL675410; MolPort-039-338-451 | C20H18O8 | 386.4 g/mol | COC1=C(C=CC(=C1)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O |
| TCMBANKIN033932 | bruceoside a, b | ||||
| TCMBANKIN035440 | dauricine | AKOS015965146; AC-20217; SCHEMBL677474; 524-17-4 | C38H44N2O6 | 624.77 | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
| TCMBANKIN035815 | simaroubolides | ||||
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036811 | brusatol | ZZZYHIMVKOHVIH-MWFXHRFLSA-N; ZINC100062210; Brusatol; ST2406734; CHEMBL450464 | C26H32O11 | 521 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C(=O)O 4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
| TCMBANKIN036815 | berberine | berberine ; isoquinoline alkaloid | C20H18NO4 | 337 | C12=N(C([H])([H])C([H])([H])c(c([H])c(OC([H])([H])O3)c3c4[H])c14)C([H])=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C5[H])C5=C2[H] |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037092 | bruceine D | C08752; 21499-66-1; Bruceine D | C20H26O9 | 410 | C1(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H]) ([H])[H])=C1[H] |
| TCMBANKIN037308 | β-Eudesmol | 2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol | 222.37 | ||
| TCMBANKIN037374 | javanicolide c | C26H36O11 | 524.6 g/mol | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(CC(C1O)O)C)O)O)C(=O)OC | |
| TCMBANKIN037657 | luteolin-4'-beta-d-glucoside | luteolin-4'-o-glucoside; MCULE-1465906005; Luteolin-4'Glucoside; luteolin-4'-o-beta-d-glucopyranoside; 4H-1-Benzopyran-4-one, 2-[4-(.beta.-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-; MolPort-019-936-842; Luteolin 4'-O-glucoside; 5,7-DIHYDROXY-2-(3-HYDROXY-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)CHROMEN-4-ONE; SCHEMBL293542; CHEBI:68986; 4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl beta-D-glucopyranoside; 3',4',5,7-Tetrahydroxyflavone 4'-.beta.-D-glucoside; 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one; 5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one; UHNXUSWGOJMEFO-QNDFHXLGSA-N; CHEMBL459822; 5,7,3'-trihydroxyflavone 4'-O-beta-D-glucopyranoside; ZINC4349517; AC1NSXO6 | C21H20O11 | 448.4 g/mol | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN037662 | Flazin | 1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI; 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-; DTXSID20142890; 9H-Pyrido[3,4-b]indole-3-carboxylicacid, 1-[5-(hydroxymethyl)-2-furanyl]-; SCHEMBL18939677; 1-(5-methylol-2-furyl)-9H-$b-carboline-3-carboxylic acid; 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[5,4-b]indole-3-carboxylic acid; Flazine; 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5-(hydroxymethyl)-2-furanyl)-; AC1NTBKS; ACMC-20m33o; CHEMBL1822160; CHEBI:69443; USBWYUYKHHILLZ-UHFFFAOYSA-; 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid; 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid; USBWYUYKHHILLZ-UHFFFAOYSA-N; InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22); 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid; flazin; 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid #; 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[5,4-b]indole-3-carboxylic acid; CTK0H9535; 100041-05-2 | 308.29 | ||
| TCMBANKIN038079 | aglycone of yadanzioside d | C23H30O11 | CC1=CC(C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)O | ||
| TCMBANKIN038207 | yadanzioside C | yadanzioside c | C34H46O17 | 727 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@ ]3([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])[H])\C(O[H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O |
| TCMBANKIN038318 | bruceene | C20H26O8 | 394.4 g/mol | CC12C(CC3C45C1C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C(=C)C=CC2O | |
| TCMBANKIN038606 | yadanziolide B | C20H26O11 | 442 | C1(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])[C@]5([H])O[H])[C@]5([H])C(C ([H])([H])[H])=C1[H] | |
| TCMBANKIN038661 | yadanzioside J | yadanzioside j | C32H44O17 | 700.68 | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)(C)O)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC |
| TCMBANKIN038853 | javanicoside c | C32H40O16 | 680.6 g/mol | CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC | |
| TCMBANKIN039247 | yadanziolide C | yadanziolide c | C20H26O9 | 410 | C1(=O)[C@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])( [H])[H])=C1[H] |
| TCMBANKIN039592 | javanicoside b | 713503-92-5; Javanicoside B; CHEMBL503591 | C32H44O16 | 684.7 g/mol | CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN039819 | yadanzioside I | yadanzioside i; Yadanzioside I; CHEMBL506706 | C29H38O16 | 643 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O4)[C@@]4([H])C5([H])[H])[C@ ]5([H])C(C([H])([H])[H])=C1O[C@@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H] |
| TCMBANKIN039978 | bruceine c | BRUCEIN C; 2H-3,1-bc]pyran-3.alpha.(1H)-carboxylic acid, 3a,4,5,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-decahydro-1.beta.,2.alpha.,4.beta.,9-tetrahydroxy-8,11a.beta.-dimethyl-5,10-dioxo-, methyl ester, 4-(4-hydroxy-3,4-dimethyl-2-pentenoate); bruceine C; 25514-30-1; NSC-305730; Picras-3-en-21-oic acid,20-epoxy-3,11,12-trihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-; Bruceine C; DTXSID80713222; PUBCHEM_54601803; NSC305730 | C28H36O12 | 564.6 g/mol | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)O |
| TCMBANKIN039982 | bruceine E | bruceine E | C20H28O9 | 412 | [C@]1([H])(O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@](C([H])([H])[H])(OC3([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])[C@@]([H])(O[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H] )C(C([H])([H])[H])=C1[H] |
| TCMBANKIN040094 | dehydrobruceine B | C23H26O11 | 478 | C1(O[H])=C([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O4)[C@@]4([H])C5([H])[H])C5=C( C([H])([H])[H])C1=O | |
| TCMBANKIN040153 | javanicoside F | C33H44O16 | 697 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@](C(OC([H])([H])[H])=O)(OC4([H])[H])[C@@]([H])(O[H])[C@] 3([H])O[H])[C@@]([H])(OC(\C([H])=C(\C([H])([H])C([H])([H])[H])/C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O | |
| TCMBANKIN040779 | bruceoside A | bruceoside a; NSC-296941; NSC296941 | C32H42O16 | 683 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@ ]3([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O |
| TCMBANKIN040835 | yadanzioside N | Picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-; Yadanzioside N; yadanzioside n; 101560-01-4 | C34H46O16 | 710.72 | CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN041081 | yadanzioside F | Yadanzioside F; LS-109748; yadanzioside f | C29H38O16 | 642.6 | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC |
| 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 |
| TCMBANKIN041639 | flavone | GTPL409; HMS3604K19; 2-phenyl-4H-benzopyran-4-one; Flavone (VAN); 5-17-10-00552 (Beilstein Handbook Reference); 2-Phenylchrome; MEGxp0_001685; MLS002473400; NCGC00090962-04; SMR000112315; MLS002177804; MCULE-3856134714; 4H-1-Benzopyran-4-one, 2-phenyl-; BDBM50028962; FT-0603450; ZX-AFC000856; Flavone (VAN) (8CI); Phenylchromone; C10043; AIDS-051918; IDI1_016673; DSSTox_CID_2048; D08RVN; 2-Phenyl-chromen-4-one; VHBFFQKBGNRLFZ-UHFFFAOYSA-N; 46370_FLUKA; InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10; KS-000016AQ; Maybridge3_005286; ACM525826; AC1L1VPW; SBB072435; Asmacoril; CU-00000000060-1; 2-Phenylbenzopyran-4-one; I14-21772; S2V45N7G3B; BRD-K86741145-001-01-5; CBiol_000263; T667; HMS2269O06; KB-232056; ACon1_000055; MFCD00006825; F0015; Flavon; UNII-S2V45N7G3B; BIF1002; HMS1446A06; DB-052142; 2-PHENYLCHRONONE; 2-PHENYL- GAMMA-BENZOPYRONE; KB-174113; ZB002210; ZINC57674; A-8354; 2-Phenyl-4H-chromen-4-one #; 2-Phenylbenzo[b]pyran-4-one; ANW-75635; NCGC00090962-03; 46380_FLUKA; AIDS051918; CTK1G8239; NSC 19028; ZX-AT010673; LMPK12110097; STK164205; DB07776; CC-11825; L001213; TR-018648; ZINC00057674; LS-39844; CCRIS 4288; 4hki; CHEMBL275638; NCGC00090962-05; C15608; 2-phenyl-1-benzopyran-4-one; 2-Phenyl-4-benzopyron; 54849-74-0; F-2700; DSSTox_GSID_22048; CAS-525-82-6; Cromarile; 2-phenyl-4H-chromen-4-one; NSC-19028; BRN 0157598; SC-65147; NCGC00090962-06; bmse000945; AK324531; Cromaril; SCHEMBL18879; C-12398; F2003_SIAL; Flavone, Flavone; 2-Phenyl-4H-benzopyran-4-one; 2-Phenyl-4H-1-benzopyran-4-one; ICCB2_000263; 2-Phenyl-gamma-benzopyrone; 2-phenylchromen-4-one; 6CC153EB-39A6-42FC-BE96-C8BF1D585E27; NSC19028; DSSTox_RID_76467; Tox21_400059; OR1156; 2-Phenyl-4-chromone; DTXSID2022048; EINECS 208-383-8; 2-Phenyl-4H-chromen-4-one; Tox21_202987; ST45028199; FLAVONE; D0S0RK; A829155; FLN; 525-82-6; NCGC00090962-02; Chaste tree berry Extract; 11091-19-3; 2-phenyl-4-chromenone; 2-Phenyl-4H-chromen-4-on; CCG-214679; VA10914; 525F826; 2-Phenyl-.gamma.-benzopyrone; 2-Phenylchromone; Flavone; Chromocor; 4h-1-benzopyran-4-one,2-phenyl-; KB-191942; CHEBI:42491; ACMC-20aj2d; AKOS000603572; BG01525318; NCGC00168837-01; PubChem9849; Vitex agnus-castus; MLS002638647; BIDD:ER0515; ST5308279; MolPort-001-016-955; NCGC00090962-01; 66585-04-4; NCGC00260532-01 | C15H10O2 | 222.24 | C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| TCMBANKIN041682 | bruceine f | bruceine F | C20H28O10 | 428.41 | CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O)O |
| TCMBANKIN042400 | Javanicoside E | 771 | |||
| TCMBANKIN042744 | bruceine I | bruceine I | C22H28O10 | 452 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@@]([C@@](OC3([H])[H])(C(OC([H])([H])C([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])(O[H])C([H])([H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C (C([H])([H])[H])=C1O[H] |
| TCMBANKIN043223 | bruceoside C | Bruceoside-C; 141271-79-6; Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)-; Bruceoside C; AC1L2JB2 | C32H42O16 | 683 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])C(=O)O4)[C@@]4([H])[C@]5([H])OC(=O)\C([H])=C(/C([H])([ H])[H])\C([H])([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[C@@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H] |
| TCMBANKIN044276 | bruceoside B | bruceoside b | C32H42O16 | 683 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)C(=O)O 4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[C@@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H] |
| TCMBANKIN044348 | yadanzioside B | yadanzioside b | C32H44O17 | 701 | C1(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H ])=O)C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[C@@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H] |
| TCMBANKIN044379 | bruceantin | NSC-165, 563; 15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester; yadanzioside P_qt | C28H36O11 | 549 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H] )C([H])([H])[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
| TCMBANKIN044825 | yadanzioside E | yadanzioside e | C32H44O16 | 685 | [C@]1([H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C @@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])C(C([H])([H])[H])=C1[H] |
| TCMBANKIN045419 | yadanzioside H | yadanzioside h | C32H46O16 | 687 | [C@]1([H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C @@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])C(C([H])([H])[H])=C1[H] |
| TCMBANKIN045892 | yadanzioside M | Yadanzioside M; Picras-1-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-di- hydroxy-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-; yadanzioside m; 101559-99-3; AC1LA2LK; methyl benzoyloxy-dihydroxy-dimethyl-dioxo-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate | C34H40O16 | 705 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@ ]3([H])O[H])[C@@]([H])(OC(c5c([H])c([H])c([H])c([H])c5[H])=O)C(=O)O6)[C@@]6([H])C7([H])[H])[C@]7([H])[C@]([H])(C([H])([H])[H])C1=O |
| TCMBANKIN046086 | yadanzioside G | yadanzioside g | C36H48O18 | 768.76 | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC |
| TCMBANKIN046630 | yadanzioside O | yadanzioside o | C37H50O18 | 782.78 | CCC(=CC(=O)OC1C2C34COC2(C(C(C3C5(C=C(C(=O)C(C5CC4OC1=O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC)C(C)(C)OC(=O)C |
| TCMBANKIN046815 | Javanicolide D | 567 | |||
| TCMBANKIN046855 | isofouquierone peroxide | C30H50O4 | 474.7 g/mol | CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)OO)O)C)C)C | |
| TCMBANKIN047371 | yadanzioside D | yadanzioside d | C29H40O16 | 645 | [C@]1([H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C @@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])C(C([H])([H])[H])=C1[H] |
| TCMBANKIN047663 | bruceantinol | 53729-52-5; C08750; Bruceantinol; CHEMBL450145 | C30H38O13 | 607 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C(OC(C([H])([H])[H])= O)(C([H])([H])[H])C([H])([H])[H])C(=O)O4)[C@@]4([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])=C1O[H] |
| TCMBANKIN047733 | Semialactone | 468.7 g/mol | |||
| TCMBANKIN047886 | javanicoside D | C35H48O17 | 741 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@](C(OC([H])([H])[H])=O)(OC4([H])[H])[C@@]([H])(O[H])[C@] 3([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])C([H])([H])[H])\C(O[H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O | |
| TCMBANKIN048171 | bruceaketolic acid | C22H28O12 | 484.45 | ||
| TCMBANKIN048679 | yadanzioside L | yadanzioside l; CHEMBL2367702 | C34H46O17 | 726.72 | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)O)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN048705 | fouquierone | C30H50O3 | 458.7 g/mol | CC(=C)C(CCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)O | |
| TCMBANKIN048749 | yadanzioside A | yadanzioside a | C32H44O16 | 684.68 | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC |
| TCMBANKIN049144 | bruceantinoside A | Bruceantinoside A; NSC-333530; NSC333530; Bruceantinoside-A; bruceantinoside-a; 79439-85-3 | C34H46O16 | 711 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@@](OC4([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@ ]3([H])O[H])[C@@]([H])(OC(\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O |
| TCMBANKIN049649 | bruceoside E | NSC-673353; CHEMBL450651 | C31H42O16 | 671 | C1(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])=C([H])[C@](C([H])([H])[H])([C@]3([H])[C@]4([C@]([H])([C@](C(O[H])=O)(OC4([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H]) [C@@]([H])(OC(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C(=O)O5)[C@@]5([H])C6([H])[H])[C@]6([H])[C@]([H])(C([H])([H])[H])C1=O |
| TCMBANKIN050045 | yadanzioside K | yadanzioside k | C36H48O18 | 768.76 | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN050230 | bruceine B | Bruceine B; C08751; 25514-29-8; NSC 132793; Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- (9CI) | C23H28O11 | 480 | C1(=O)C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@]3([C@]([H])([C@@](OC3([H])[H])(C(OC([H])([H])[H])=O)[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(OC(C([H])([H])[H])=O)C(=O)O4)[C@@]4([H])C5([H])[H])[C@ ]5([H])C(C([H])([H])[H])=C1O[H] |
| TCMBANKIN057998 | magnoflorine | NSC150447; AKOS025401511; Magnoflorine; Escholine Iodide; C20H24NO4.I; Magnoflorine, iodide; Thalictrine Iodide; Magnoflorine Iodide (6CI,7CI); N2506; AC-20269; 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, iodide, (S)-; Magnoflorine-iodide; NSC 150447; MAGNOFLORINE IODIDE; MAGNOFLORINE IODIDE, (+)-(RG); Magnoflorineiodide; BG01755204; (+)-Magnoflorine Iodide; CHEMBL494052; Corytuberine Methiodide; MolPort-006-069-296; NSC-150447; 4277-43-4; (+)-MAGNOFLORINE IODIDE; 1,11-Dihydroxy-2,10-dimethoxy-6-methyl-6a; AK608288; A-aporphinium Iodide; 8167AH; DTXSID00195420; (6aS)-5,6,6a,7-Tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium Iodide; magnoflorine; (+)-magnoflorine | C20H24NO4+ | 342.4 g/mol | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| 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 |
| TCMBANKIN059317 | Alisol A monoacetate | alisol a 24-acetate;alisol e 24-acetate;alisol a monoacetate | C32H52O6 | 532.8 g/mol | CC(CC(C(C(C)(C)O)OC(=O)C)O)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1)C)C)(C)C)C)O |
| 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 | |
| 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 | |
| TCMBANKIN059571 | ZINC05224268 | C15H24 | 204.35 | CC1(CC2C1CCC3(C(O3)CCC2=C)C)C | |
| TCMBANKIN059694 | bruceantarin | C28H30O11 | 542.5 g/mol | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O | |
| TCMBANKIN059695 | bruceine a | C26H34O11 | 522.5 g/mol | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O | |
| TCMBANKIN059866 | yadanziolide C | C34H46O17 | 726.72 | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O | |
| TCMBANKIN059867 | bruceine h | C20H26O10 | 426.4 g/mol | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)C)O | |
| TCMBANKIN059895 | bruceine e 2-β-d-glucopyranoside;yadanzigan | C26H38O14 | 574.57 | CC1=CC(C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O)OC6C(C(C(C(O6)CO)O)O)O | |
| 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 | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| 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 | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060957 | ELD | C18H35NO | 281.48g/mol | CCCCCCCCC=CCCCCCCCC(=O)N | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060962 | anticancer glycerol ester pmv70p691-119 | C39H72O5 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O | ||
| TCMBANKIN060978 | Mnk | C11H22O | 170.29 | CCCCCCCCCC(=O)C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061142 | n-Dotriacontane | C32H66 | 450.9 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061256 | 4-Ethoxycarbonyl-2-quinolone | C12H11NO3 | 217.22 | CCOC(=O)C1=CC(=O)NC2=CC=CC=C21 | |
| TCMBANKIN061375 | Abrine | NCGC00142581-01; N-methyl-L-tryptophan; 69555_FLUKA; (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid; N-Metil-L-triptofano; A829179; L-2-Methyltryptophan; 3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propanoic acid; L-Abrine; N(alpha)-methyl-L-tryptophan; EINECS 208-388-5; SBB012419; 434248_ALDRICH; CHEBI:15334; abrine; Nalpha-Methyl-L-tryptophan; (2S)-3-(1H-indol-3-yl)-2-methylaminopropanoic acid; N-Methyl-L-tryptophane; C02983; 526-31-8; 3-(1H-indol-3-yl)-2-(methylammonio)propanoate; (2S)-3-(1H-indol-3-yl)-2-methylamino-propionic acid; abrin | C12H14N2O2 | 218.25 | CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
| TCMBANKIN061407 | methyl salicylate | NCGC00091106-02; Birch oil, sweet; Methyl salicylate (JP15/NF); Methylester kyseliny salicylove [Czech]; Gaultheriaoel; Spicewood Oil; Birch oil; InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H; Betula Lenta; 4-10-00-00143 (Beilstein Handbook Reference); FEMA Number 2745; Theragesic; EPA Pesticide Chemical Code 076601; Panalgesic; 2-Hydroxybenzoic acid, methyl ester; 76631_FLUKA; 119-36-8; o-Hydroxybenzoic acid, methyl ester; 2-Carbomethoxyphenol; Teaberry oil; Metylester kyseliny salicylove [Czech]; M2047_SIAL; Methyl salicylate (natural); 84332_FLUKA; Analgit; Flucarmit; Methyl o-hydroxybenzoate; Sweet birch oil; Methyl salicylate (TN); Methyl salicylate [JAN]; Gaultheria oil; Wintergruenoel; Enamine_001611; Oil of Wintergreen; M6752_SIAL; Synthetic Wintergreen Oil; 8022-86-4; Betula oil; Gaultheria Oil, artificial; Betula; Wintergreen oil; Metylester kyseliny salicylove; 2-Hydroxybenzoic acid methyl ester; Exagien; EINECS 204-317-7; FEMA No. 2745; 2-(Methoxycarbonyl)phenol; WLN: QR BVO1; W215481_ALDRICH; LS-616; Caswell No. 577; AI3-00090; W274518_ALDRICH; NSC8204; Methyl 2-hydroxybenzoate; W311308_ALDRICH; Natural Wintergreen Oil; C12305; ZINC00000490; HSDB 1935; T0505-2596; Benzoic acid, 2-hydroxy-, methyl ester; Methyl salicylate; D01087; 8024-54-2; BRN 0971516; NSC 8204; NCGC00091106-01; Wintergreen Oil, synthetic; CCRIS 6259; Salicylic acid, methyl ester; Methyl hydroxybenzoate; salicylic acid,methyl ester; Gaultheriaoel | C8H8O3 | 152.15 g/mol | COC(=O)C1=CC=CC=C1O |
| TCMBANKIN061607 | cleomiscosin a | 8'-epi-cleomiscosin A; (2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one; 8'-Epicleomiscosin A; CHEBI:65642 | C20H18O8 | 386.4 g/mol | COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O |
| TCMBANKIN061673 | jatrorrizine | Jatrorrhizine, iodide; 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide; iatrorrhizine; JATRORRHIZINE IODIDE; jatrorhizinc; CHEMBL1990190; NSC-93137; AC1NURFL; Q-100433; Ambap3621-38-3; 7,8,13,13alpha-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium; jatrorrhizine; 1168-00-9; KB-78657; NSC93137; jatrorrhizine; jatrorrhizine | C20H20NO4+ | 338.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
| TCMBANKIN061674 | palmatin;palmatine | V1557; 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo(a,g)quinolizinium hydroxide; Calystigine; Palmatine chloride; palmatine ; 6771L5MN8S; UNII-6771L5MN8S; MolPort-039-138-801; 3486-67-7 (Parent); Palmatine hydroxide; 131-04-4; BG01657711; AC1L43OM; Palmatinium hydroxide; LS-61262; DTXSID60156830; 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxyberbinium hydroxide; Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, hydroxide; 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide; AS-17724 | C21H22NO4+ | 352.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC |
| TCMBANKIN061675 | berberime | berberine ; isoquinoline alkaloid; berberine | C20H18NO4+ | 336.4 g/mol | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| TCMBANKIN061827 | ethoxychelerythrine;lysionotin | 13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; BG01680984; SCHEMBL13103363; 20-ETHOXY-17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE; Y0019; AC1NSV9I; 12,13-Dihydro-13-ethoxy-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine; FT-0723636;ACon1_000159; 5,7-Dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromone; C10111; ACon0_001112; AIDS035341; Lysionotin; MEGxp0_001862; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; AIDS-035341; 10176-66-6;ethoxychelerythrine;lysionotin | C18H16O7 | 344.3 g/mol | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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