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Capsaicin, Vanilloid receptor openerCas#: 404-86-4 Compound CID: 1548943Formula: C18H27NO3 Molecular Weight: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+Synonyms: CAPSAICIN (USP-RS) | 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)- | N-[(4-Hydroxy-3-methoxyphe...
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Chlorogenic acidCas#: 327-97-9 Compound CID: 1794427Formula: C16H18O9 Molecular Weight: 354.31IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=OInChIKey: CWVRJTMFETXNAD-JUHZACGLSA-NInChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1Synonyms: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid | 3-(3,4-Di...
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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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Capsaicin, Activator of CFTR;Channel blocker of K v1.1;Channel blocker of K v1.2;Channel blocker of K v1.7;Channel blocker of K v3.1;Activator of TRPV1Cas#: 404-86-4 Compound CID: 1548943Formula: C18H27NO3 Molecular Weight: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+Synonyms: CAPSAICIN (USP-RS) | 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)- | N-[(4-Hydroxy-3-methoxyphe...
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Oleanolic acidCas#: 508-02-1 Compound CID: 10494Formula: C30H48O3 Molecular Weight: 456.7IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidSMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)CInChIKey: MIJYXULNPSFWEK-GTOFXWBISA-NInChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1Synonyms: Caryophyllin | OLEANOLIC_ACID | SMR000445561 | Oleanolic acid, analytical standard | OLEANOLIC ACID (CONSTITUENT OF H...
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AndrographolideCas#: 5508-58-7 Compound CID: 5318517Formula: C20H30O5 Molecular Weight: 350.45IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-oneSMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OInChIKey: BOJKULTULYSRAS-OTESTREVSA-NInChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1Synonyms: ANDROGRAPHOLIDE [MI] | DTXCID1025980 | Q-100624 | DTXSID3045980 | (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-...
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Capsaicin, Activator of CFTR;Channel blocker of K v1.1;Channel blocker of K v1.2;Channel blocker of K v1.7;Channel blocker of K v3.1;Activator of TRPV1Cas#: 404-86-4 Compound CID: 1548943Formula: C18H27NO3 Molecular Weight: 305.41IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamideSMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-NInChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+Synonyms: Capsaicin|404-86-4|(E)-Capsaicin|Zostrix|Qutenza|CAPSAICINE|Styptysat|Axsain|Isodecenoic acid vanillylamide|Ausanil|t...
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Chlorogenic acid, Inhibitor of protein tyrosine phosphatase non-receptor type 1Cas#: 327-97-9 Compound CID: 1794427Formula: C16H18O9 Molecular Weight: 354.31IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidSMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=OInChIKey: CWVRJTMFETXNAD-JUHZACGLSA-NInChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1Synonyms: CHLOROGENIC ACID|327-97-9|3-O-Caffeoylquinic acid|Heriguard|Chlorogenate|3-(3,4-Dihydroxycinnamoyl)quinic acid|3-Caff...
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Linolenic acidCas#: 463-40-1 Compound CID: 5280934Formula: C18H30O2 Molecular Weight: 278.44IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acidSMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OInChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-NInChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-Synonyms: cis,cis,cis-9,12,15-Octadecatrienoic acid | (Z,Z,Z)-9,12,15-Octadecatrienoic acid | linolenate | linolenic acid | (9Z...
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LupeolCas#: 545-47-1 Compound CID: 259846Formula: C30H50O Molecular Weight: 426.72IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-olSMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CInChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-NInChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1Synonyms: Monogynol B | CHEBI:6570 | DS-3391 | Lup-20(29)-en-3b-ol | Lupeol, analytical standard | Q409366 | Triterpene lupeol ...
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LupeolCas#: 545-47-1 Compound CID: 259846Formula: C30H50O Molecular Weight: 426.72IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-olSMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CInChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-NInChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1Synonyms: Lupeol|545-47-1|Fagarasterol|Clerodol|Monogynol B|farganasterol|Fagarsterol|Lupenol|Triterpene lupeol|beta-Viscol|Lup...
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Schisandrin A, Agonist of Pregnane X receptorCas#: 61281-38-7 Compound CID: 155256Formula: C24H32O6 Molecular Weight: 416.51IUPAC Name: (9R,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaeneSMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OCInChIKey: JEJFTTRHGBKKEI-OKILXGFUSA-NInChI: InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+Synonyms: schisandrin A|Schizandrin A|61281-38-7|Deoxyschisandrin|Deoxyschizandrin|Wuweizisu A|(+)-Deoxyschizandrin|(-)-Deoxysc...
