TCMBANKIN000055 |
seselin |
8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one #; Amyrolin; ZINC265504; 8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one; 8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one; ACM523591; 5634E8957P; MCULE-7289743021; Sesalin; 8,8-DIMETHYLPYRANO[2,3-H]CHROMEN-2-ONE; 8,8-Dimethyl-2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one; 8,8-dimethylpyrano[2,3-f]chromen-2-one; 523-59-1; 8,8-Dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI; 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-; AC1L29B1; CHEMBL71358; 2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl-; Oprea1_187929; CTK4J5797; BDBM50361397; C09312; HMS1648A10; 2H-1-Benzopyran-6-acrylic acid, 5-hydroxy-2,2-dimethyl-, .delta.-lactone; Seseline; UNII-5634E8957P; DTXSID60200322; Pyranocoumarin deriv.; seselin ; AC1Q6BHE; CHEBI:69040; SCHEMBL8993385; 3',4'-Di-O-(-)-Camphanoyl-(+)-cis-khellactone; QUVCQYQEIOLHFZ-UHFFFAOYSA-N; STOCK1N-00353; Seselin; AKOS000276897; 8,8-dimethylpyrano[2,3-f]chromen-2(8H)-one |
C14H12O3 |
228.24 g/mol |
CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C |
TCMBANKIN000073 |
plumericin |
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C15H14O6 |
290.27 g/mol |
CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O |
TCMBANKIN000074 |
plumbagin |
plumbagin ; 5-hydroxy-2-methyl-1, 4-naphthoquinone |
C11H8O3 |
188.18 |
CC1=CC(=O)C2=C(C1=O)C=CC=C2O |
TCMBANKIN002563 |
zeylanone |
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C22H14O6 |
374.3 g/mol |
CC12C(CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)C(=O)C5=C(C2=O)C=CC=C5O |
TCMBANKIN004251 |
methylene-3, 3'-dipl-umbagin |
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TCMBANKIN005188 |
neoechinulin A |
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C19H21N3O2 |
323.4 g/mol |
CC1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1 |
TCMBANKIN007477 |
isoshinanolone |
|
C11H12O3 |
192.21 g/mol |
CC1CC(=O)C2=C(C1O)C=CC=C2O |
TCMBANKIN009190 |
lupenone |
lupenone ; 1617-70-5; LUPENONE; SCHEMBL1483620; NSC 281807; ZINC04081760; Lup-20(29)-en-3-one (8CI)(9CI); (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one; AIDS-082905; AIDS082905 |
C30H48O |
424.7 g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
TCMBANKIN009485 |
maritinone |
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C22H14O6 |
374.3 g/mol |
CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C4C(=C(C=C3)O)C(=O)C=C(C4=O)C)O |
TCMBANKIN009767 |
3'-O-β-glucopyranosyl-plumbagic acid |
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TCMBANKIN010379 |
plumbazeylanone |
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C34H24O9 |
576.5 g/mol |
CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C34C(CC5(C3(C(=O)C6=C(C5=O)C(=CC=C6)O)C)C)C(=O)C7=C(C4=O)C(=CC=C7)O |
TCMBANKIN011844 |
3-chloroplumbagin |
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C11H7ClO3 |
222.62 g/mol |
CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)Cl |
TCMBANKIN017435 |
3, 3'-biplumbagin |
3,3'-biplumbagin |
C22H14O6 |
374.3 g/mol |
CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C |
TCMBANKIN017620 |
3'-o-β-glucopyranosyl plumbagicacid |
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C17H22O10 |
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TCMBANKIN019807 |
androsta-1,4-diene-3,17-dione |
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C19H24O2 |
284.4 g/mol |
CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C |
TCMBANKIN020432 |
2-methylnaphthazarin |
2-methylna-phthazarin |
C11H8O4 |
204.18 g/mol |
CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
TCMBANKIN021756 |
3'-O-β-glucopyranosyl-plumbagic acid methyl-ester |
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TCMBANKIN021839 |
3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedi-oxyflavone |
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C18H14O8 |
358.3 g/mol |
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O)O |
TCMBANKIN023365 |
β-sitosteryl-3β-glucopyranoside |
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TCMBANKIN023938 |
lβ,3β,l1α-trihydroxy-urs-12-ene |
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TCMBANKIN025296 |
isoshinznolone |
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TCMBANKIN027722 |
N-(N'-benzoyl-S-phenylalaninyl)-S-phenylalaninol |
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TCMBANKIN027838 |
Lupeol acetate |
lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 |
C32H52O2 |
468.75 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
TCMBANKIN028917 |
3-Chloropropylsulfonyl chloride |
3-chloropropane-1-sulfonyl chloride; 125199_ALDRICH; InChI=1/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H; NSC 93777; 4-04-00-00040 (Beilstein Handbook Reference); 1-Propanesulfonyl chloride, 3-chloro- (8CI)(9CI); 3-Chloropropanesulphonyl chloride; 1633-82-5; SBB016760; TL 136; 3-Chloropropanesulfonyl chloride; 1-Propanesulfonyl chloride, 3-chloro-; PROPANESULFONYL CHLORIDE, CHLORO-; gamma-Chloropropanesulfonyl chloride; EINECS 216-646-3; BRN 1754119; .gamma.-Chloropropanesulfonyl chloride; 3-Chloro-1-propanesulfonyl chloride; NSC93777 |
C3H6Cl2O2S |
177.05 |
C(CS(=O)(=O)Cl)CCl |
TCMBANKIN032187 |
3'-o-β-glucopyranosyl plumbagicacid methylester |
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C18H24O10 |
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TCMBANKIN035388 |
droserone |
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C11H8O4 |
204.18 g/mol |
CC1=C(C2=C(C(=CC=C2)O)C(=O)C1=O)O |
TCMBANKIN037331 |
Xanthyletin |
xanthyletin |
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228.24 g/mol |
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TCMBANKIN045172 |
Isozeylanone |
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374.3 g/mol |
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TCMBANKIN046691 |
plumbagic acid |
plumbagicacid |
C11H12O5 |
224.21 g/mol |
CC(CC(=O)O)C(=O)C1=C(C(=CC=C1)O)O |
TCMBANKIN047418 |
5beta-Cyprinol |
5beta-cyprinol; 5β-cyprinol |
C27H48O5 |
452.7 g/mol |
[C@]1([H])(O[H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])O[H])C([H]
)([H])O[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])[C@]([H])(O[H])C4([H])[H])[C@@]4([H])C1([H])[H] |
TCMBANKIN047434 |
suberosin |
581-31-7; Suberosin; CHEBI:69041; AC1Q69VY; MEGxp0_001424; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); AIDS-011993; 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; suberosin ; NSC31869; 4CN-1207; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); ZINC1664037; 7-methoxy-6-prenylcoumarin; BDBM50361375; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NSC-31869; CHEMBL1928409; SCHEMBL6273982; RSZDAYHEZSRVHS-UHFFFAOYSA-N; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; ACon1_000574; 7-methoxy-6-(3-methylbut-2-enyl)-2-chromenone; AIDS011993; 7-methoxy-6-(3-methylbut-2-enyl)coumarin; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NP-006524; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; AKOS028108564; MCULE-9562140872; NCI60_002737; CTK5A7890; NSC 31869; MolPort-005-944-812; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; DTXSID20206820; AC1L29TY; SUBEROSIN |
C15H16O3 |
244.286 |
c1(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c([H])c1OC([H])([H])[H] |
TCMBANKIN058188 |
PHB |
NSC4961; AE-848/32195059; AIDS-018038; AI3-01003; 4-Hydroxybenzoic acid; Benzoic acid, p-hydroxy-; ST5210584; 54630_FLUKA; C00156; 4-HBA; InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10; Acido p-idrossibenzoico [Italian]; HSDB 7233; 99-96-7; p-Salicylic acid; p-Oxybenzoesaure [German]; HYDROXYBENZOIC ACID, PARA; NSC 4961; Benzoic acid, p-hydroxy; EINECS 202-804-9; CHEBI:30763; p-Hydroxybenzoic acid; H20059_ALDRICH; 240141_ALDRICH; NCGC00166040-01; Kyselina 4-hydroxybenzoova [Czech]; 4-Carboxyphenol; Benzoic acid, 4-hydroxy; W398608_ALDRICH; 4-Hydroxybenzoesaeure; Benzoic acid, 4-hydroxy-; AIDS018038; WLN: QVR DQ; 4-hydroxybenzoic; 4-hydroxy benzoic acid |
C7H6O3 |
138.12 g/mol |
C1=CC(=CC=C1C(=O)O)O |
TCMBANKIN058303 |
Cinnamate |
trans-cinnamic ;J3.580.907D; 3-phenyl-2-propenoic acid, ion(1-); WBYWAXJHAXSJNI-VOTSOKGWSA-M; trans-Cinnamate; CHEBI:15669; CJ-15262; 4151-45-5; trans -cinnamic acid; STL299661; 3-phenylprop-2-enoate; 3-phenyl-2-propenoate; 3-phenylacrylate; 2-Propenoic acid, 3-phenyl-, ion(1-); (2E)-3-phenylprop-2-enoate; Cinnamic acid, ion(1-); (E)-3-phenylprop-2-enoate; AKOS022140092; AC1NZCWE; CHEBI:23248; cinnamate |
C9H7O2- |
147.15 g/mol |
C1=CC=C(C=C1)C=CC(=O)[O-] |
TCMBANKIN058372 |
indole-3-carboxaldehyde |
3-Formylindole; Indole-3-carbaldehyde; beta-Indolylaldehyde; 3-Indolealdehyde; 246045-99-8; SBB004120; AI3-52407; Indol-3-carboxaldehyde; NSC10118; 487-89-8; BRN 0114117; 5-21-08-00246 (Beilstein Handbook Reference); 1H-indole-3-carbaldehyde; 3-formylindole; 1H-Indole-3-carboxaldehyde; C08493; AIDS-019632; Indole-3-carboxaldehyde; 3-Indolecarboxaldehyde; INDOLE-3-CARBOXYALDEHYDE; .beta.-Indolylaldehyde; EINECS 207-665-8; AIDS019632; NSC 10118; 57210_FLUKA; 3-Indolecarbaldehyde; ZINC00087959; NCGC00161738-01; BAS 07339836; INDOLE-3-ALDEHYDE; 129445_ALDRICH |
C9H7NO |
145.16 g/mol |
C1=CC=C2C(=C1)C(=CN2)C=O |
TCMBANKIN058446 |
5,7-Dihydroxychromone |
AC1NQYDJ; 5,7-dihydroxy-4-chromenone; N2172; Q-100396; DTXSID30185617; BDBM50115096; 5,7-Dihydroxy-4-chromone; ZINC6119185; 5,7-Dihydroxy-4H-1-benzopyran-4-one; MolPort-008-155-942; CHEBI:2007; 4CN-1438; ANW-44157; CTK4G7632; CHEMBL3604316; AC-6025; FCH1155434; 5,7-dihydroxychromone ; 3455AB; AJ-55880; 31721-94-5; AK-88917; SCHEMBL1860859; 5,7-dihydroxychromen-4-one; C09001; BG00908758; 5,7-Dihydroxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-; ST2405978; 5,7-dihydroxychromone; BG01504926; 4H-1-Benzopyran-4-one,5,7-dihydroxy-; FT-0686568; AKOS015999181; 5,7-dihydroxy-chromone |
C9H6O4 |
178.14 g/mol |
C1=COC2=CC(=CC(=C2C1=O)O)O |
TCMBANKIN059146 |
(22z,24s)-cerevisterol |
ergostadiene-3β,5α,6β-triol |
C28H46O3 |
430.7 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)O)C |
TCMBANKIN059486 |
xanthoxyletin |
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C15H14O4 |
258.27 g/mol |
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
TCMBANKIN059840 |
2,5-dimethylbenzaldehyde |
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C9H10O |
134.18 |
CC1=CC(=C(C=C1)C)C=O |
TCMBANKIN059871 |
chiratone;Chitranone |
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C22H14O6 |
374.34 |
CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C |
TCMBANKIN059872 |
eliptinone |
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C22H14O6 |
374.3 g/mol |
CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)C3=C(C4=C(C=C3)C(=O)C(=CC4=O)C)O |
TCMBANKIN060392 |
cis-isoshinanolone |
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C11H12O3 |
192.21 g/mol |
CC1CC(=O)C2=C(C1O)C=CC=C2O |
TCMBANKIN060883 |
Glyceryl trilinoleate |
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C57H98O6 |
879.38 |
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC |
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 |