Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004138 |
YEM_ID: | YEM-734 |
XU_ID: | XU-660 |
ID: | TCMBANKHE004138/YEM-734/XU-660 |
植物拉丁名: |
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功能与主治: | To remove toxic heat, to stop malarial attacks, to relieve dysentery, and to cauterize vegetations./Malaria, amebic dysentery, dysentery with pus and blood, tenesmus, corn and common wart. |
药用植物名: | 鸦胆子 |
药名: | 鸦胆子 |
来源: | 云南民族药物志：第四卷|云南省文山州富宁县 |
药用部位: | fruit|茎 |
使用民族: | 阿昌族/傣族/德昂族/基诺族/景颇族/傈僳族/彝族/壮族 |
治疗类型: | 清热解毒药 |
KUMST_ID1: | KMUST-BS-0673 |
KUMST_ID2: | KMUST-2024041200087-1 |
TCM_ID_id: | 5194 |
SymMap_id: | 448 |
TCMSP_id: | 1072 |
Merr.|Brucea javanica1.jpg)
Merr.|Brucea javanica2.jpg)
Merr.|Brucea javanica3.jpg)
Merr.|Brucea javanica4.jpg)
Merr.|Brucea javanica5.jpg)
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 |
|---|
| TCMBANKIN000783 | β-sitosteryl-β-D-glucoside | β-sitosteryl β-D-glucoside; beta-sitosteryl-beta-d-glucoside | 0 | ||
| TCMBANKIN001426 | yadanzioside G_qt | C36H48O18 | 768.76 | ||
| TCMBANKIN001507 | yadanzioside O_qt | C37H50O18 | 782.78 | ||
| TCMBANKIN001659 | yadanzioside L_qt | C34H46O17 | 726.72 | ||
| TCMBANKIN004234 | dehydrochebulic acid trimethyl ester | C17H16O11 | 396.3 g/mol | COC(=O)C=C(C1C(OC(=O)C2=CC(=C(C(=C12)O)O)O)C(=O)OC)C(=O)OC | |
| 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 |
| TCMBANKIN007234 | yadanzioside B_qt | C32H44O17 | 700.68 | ||
| 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 |
| TCMBANKIN007898 | bruceoside A_qt | C32H42O16 | 682.67 | ||
| 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 |
| TCMBANKIN010473 | quassinoides | ||||
| TCMBANKIN010748 | dehydrobrussatol | 518.56 | |||
| 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 |
| TCMBANKIN013757 | yadanziolide C_qt | C34H46O17 | 726.72 | ||
| TCMBANKIN015698 | yadanzioside A_qt | C32H44O16 | 684.68 | ||
| TCMBANKIN015798 | hyperin _qt | C21H20O12 | 464.38 | ||
| 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 |
| TCMBANKIN020141 | yadanziolide D | 396.43 | |||
| TCMBANKIN021229 | broceaketolicacid | C23H30O11 | |||
| TCMBANKIN021699 | yadanzioside D_qt | C29H40O16 | 644.62 | ||
| TCMBANKIN026174 | yandanzioside n & o | ||||
| TCMBANKIN027544 | yaxanzioolide d | ||||
| TCMBANKIN029497 | yadanzioside M_qt | C34H40O16 | 704.67 | ||
| TCMBANKIN029564 | yadanzioside C_qt | C34H46O17 | 726.72 | ||
| TCMBANKIN029614 | 4-ethoxymethylphenyl-4'-hydroxybenzylether | C16H18O3 | CCOCC1=CC=C(C=C1)OCC2=CC=C(C=C2)O | ||
| TCMBANKIN029672 | yadanzioside H_qt | C32H46O16 | 686.7 | ||
| TCMBANKIN029699 | yadanzigan _qt | C26H38O14 | 574.57 | ||
| TCMBANKIN030191 | bruceoside B_qt | C32H42O16 | 682.67 | ||
| TCMBANKIN030887 | stigmasta-4,22-diene-3beta,6beta-diol | stigmasta- 4, 22- diene- 3β, 6β-diol | C29H48O2 | 428.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC(C4=CC(CCC34C)O)O)C)C(C)C |
| 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 | ||||
| TCMBANKIN033463 | yadanzioside N_qt | C34H46O16 | 710.72 | ||
| 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 |
| TCMBANKIN035458 | yadanzioside E_qt | C32H44O16 | 684.68 | ||
| TCMBANKIN035815 | simaroubolides | ||||
| TCMBANKIN036213 | yadanzioside F_qt | C29H38O16 | 642.6 | ||
| 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 |
| TCMBANKIN036547 | yadanzioside J_qt | C32H44O17 | 700.68 | ||
| TCMBANKIN036750 | yadanzioside K_qt | C36H48O18 | 768.76 | ||
| 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] |
| TCMBANKIN036812 | brucine | BB_NC-0718; 399027_ALDRICH; C09084; ACon1_001990; nchembio.2007.55-comp3; 357-57-3 (FREE BASE); Brucine; InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H; Brucina; SMR000112281; 2,3-dimethoxystrychnidin-10-one; MEGxp0_001865; 4845-99-2 (MONOSULFATE); l-Brucine; AIDS002665; AIDS-002665; MLS000515808; Brucin; UN 1570 | C23H26N2O4 | 394.46 | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| 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] |
| 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 |
| TCMBANKIN041293 | dehydrobruceine A | C26H32O11 | 521 | 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])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C( =O)O4)[C@@]4([H])C5([H])[H])C5=C(C([H])([H])[H])C1=O | |
| 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] |
| 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] |
| 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] |
| TCMBANKIN043721 | 2,4'-Dimethoxy-3'-(2-hydroxy-3-methyl-3-butenyl)acetophenone | ||||
| 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] |
| TCMBANKIN058130 | quercetin-３-Ｏ-galactoside | hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside | C21H19O12- | 463.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
| TCMBANKIN058145 | cinaroside | Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside | C21H20O11 | 448.4 g/mol | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| 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 | |
| TCMBANKIN059824 | dehydrobruceantinol | C30H36O13 | 604.6 g/mol | CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC | |
| 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 | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| 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 | ||
| 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 | |
| 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 |
| TCMBANKIN061393 | dehydrochebulic acid trimethyl ester | trimethyl ester dehydrochebulic acid | C17H16O11 | 396.3 g/mol | COC(=O)C=C(C1C(OC(=O)C2=CC(=C(C(=C12)O)O)O)C(=O)OC)C(=O)OC |
| TCMBANKIN061401 | Methylgallate | BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin | C8H8O5 | 184.15 | COC(=O)C1=CC(=C(C(=C1)O)O)O |
| TCMBANKIN061561 | vanillic acid | CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid | C8H8O4 | 168.15 g/mol | COC1=C(C=CC(=C1)C(=O)O)O |
| TCMBANKIN061596 | chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone | 35.850895 | C16H12O6 | 300.26 g/mol | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| 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 |
| TCMBANKIN061745 | syringic acid; Syryngic; 1,5-dimethoxy-3-hydroxybenzoicacid; 3,5-dimethoxy-4-hydroxybenzoic acid; Cedar acid | I01-1212; syringicacid; 3,5-dimethoxy-4-oxidanyl-benzoate; CHEBI:132111; 4-hydroxy-3,5-dimethoxybenzoate; c1409; ZB006317; AKOS015888648; A824548; A829374; CJ-01507; AC1OC351; ST51051575; C10833; DivK1c_006581; KBio3_002814; 530-57-4; AI3-24376; 3,5-Dimethoxy-4-hydroxybenzyl acid; S6881_SIGMA; BSPBio_003312; InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12; EINECS 208-486-8; Gallic acid 3,5-dimethyl ether; Syringic acid; NSC2129; Spectrum3_001866; 4-10-00-01995 (Beilstein Handbook Reference); 4-Hydroxy-3,5-dimethoxybenzoic acid; SpecPlus_000485; NSC 2129; 4-hydroxy-3,5-dimethoxy-benzoic acid; Spectrum5_000963; ST5214746; KBio1_001525; BRN 2115262; 3,5-Dimethoxy-4-hydroxybenzoic acid; Benzoic acid, 4-hydroxy-3,5-dimethoxy- | C9H10O5 | 198.17 g/mol | COC1=CC(=CC(=C1O)OC)C(=O)O |
| 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
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