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ColchicineCas#: 64-86-8 Compound CID: 6167Formula: C22H25NO6 Molecular Weight: 399.44IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideSMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OCInChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-NInChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1Synonyms: COLBENEMID COMPONENT COLCHICINE | Colchicin | COLCHICINE [MI] | EINECS 200-598-5 | HSDB 3044 | COLCHICINE [HSDB] | CO...
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Paclitaxel, Agonist of Pregnane X receptor;Agonist of TLR4;Inhibitor of tubulin beta class ICas#: 33069-62-4 Compound CID: 36314Formula: C47H51NO14 Molecular Weight: 853.91IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoateSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CInChIKey: RCINICONZNJXQF-MZXODVADSA-NInChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1Synonyms: NSC125973 | NSC-125973 | Onxal | ORAXOL COMPONENT PACLITAXEL | Pacliex | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R...
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(-)-Epicatechin gallate, Agonist of TAS2R39Cas#: 1257-08-5 Compound CID: 107905Formula: C22H18O10 Molecular Weight: 442.37IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-NInChI: InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1Synonyms: AKOS015965216 | DTXSID70925231 | trans-4-[N-ethyl-N-(2-hydroxyethyl)amino]-4'-nitroazobenzene | KBio2_003362 | S)-1-A...
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(-)-Epigallocatechin gallateCas#: 989-51-5 Compound CID: 65064Formula: C22H18O11 Molecular Weight: 458.37IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-WIYYLYMNSA-NInChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1Synonyms: EGCG | 3-O-Gallate
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HarmineCas#: 442-51-3 Compound CID: 5280953Formula: C13H12N2O Molecular Weight: 212.25IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleSMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OCInChIKey: BXNJHAXVSOCGBA-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3Synonyms: 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole | HARMINE | HMS3885E10 | Spectrum5_001914 | 9H-Pyrido(3,4-b)indole, 7-metho...
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(-)-Epicatechin gallate, Agonist of TAS2R39Cas#: 1257-08-5 Compound CID: 107905Formula: C22H18O10 Molecular Weight: 442.37IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-NInChI: InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1Synonyms: (-)-Epicatechin gallate|1257-08-5|Epicatechin gallate|(-)-Epicatechin-3-O-gallate|(-)-epicatechingallate|L-Epicatechi...
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Colchicine, Inhibitor of bromodomain containing 4;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Agonist of TAS2R46;Agonist of TAS2R4;Inhibitor of tubulin beta class ICas#: 64-86-8 Compound CID: 6167Formula: C22H25NO6 Molecular Weight: 399.44IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideSMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OCInChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-NInChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1Synonyms: colchicine|64-86-8|Colchisol|Colchineos|Colcin|Colchicinum|Colchicin|Colchicina|Condylon|Colsaloid|Colcrys|7alphaH-Co...
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DocetaxelCas#: 114977-28-5 Compound CID: 148124Formula: C43H53NO14 Molecular Weight: 807.88IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoateSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OInChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-NInChI: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1Synonyms: Docetaxel [INN] | D07866 | NSC 759850 | CS-0214895 | Lead di(acetate) | NCGC00242509-01 | DOCETAXEL MYLAN | Ethanol, ...
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Harmine, Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1BCas#: 442-51-3 Compound CID: 5280953Formula: C13H12N2O Molecular Weight: 212.25IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indoleSMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OCInChIKey: BXNJHAXVSOCGBA-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3Synonyms: HARMINE|442-51-3|7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole|Banisterine|Telepathine|Leucoharmine|Yageine|Yajeine|9H-Py...
