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  1. Resveratrol, Inhibitor of COX-2;Agonist of TAS2R14;Antagonist of Peroxisome proliferator-activated receptor-γ
    Cas#: 501-36-0        Compound CID:  445154
    Formula:  C14H12O3        Molecular Weight: 228.24
    IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
    InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
    InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
    Synonyms: Q369O8926L | CHEBI:27881 | CU-01000001503-3 | HMS1792H15 | NSC133100 | BPBio1_000479 | NCGC00344093-09 | RESVERATROL ...
  2. Paclitaxel, Agonist of Pregnane X receptor;Agonist of TLR4;Inhibitor of tubulin beta class I
    Cas#: 33069-62-4        Compound CID:  36314
    Formula:  C47H51NO14        Molecular Weight: 853.91
    IUPAC 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] benzoate
    SMILES: 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)C
    InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    InChI: 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/s1
    Synonyms: NSC125973 | NSC-125973 | Onxal | ORAXOL COMPONENT PACLITAXEL | Pacliex | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R...
  3. Phenothiazine
    Cas#: 92-84-2        Compound CID:  7108
    Formula:  C12H9NS        Molecular Weight: 199.27
    IUPAC Name: 10H-phenothiazine
    SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3S2
    InChIKey: WJFKNYWRSNBZNX-UHFFFAOYSA-N
    InChI: InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
    Synonyms: PTZ | ENT-38 | phenothiazin | Souframine | Fenotiazina [Italian] | Dibenzothiazine | ALIMEMAZINE HEMITARTRATE IMPURIT...
  4. 4-Acetamidophenol, Vanilloid receptor opener
    Cas#: 103-90-2        Compound CID:  1983
    Formula:  C8H9NO2        Molecular Weight: 151.16
    IUPAC Name: N-(4-hydroxyphenyl)acetamide
    SMILES: CC(=O)NC1=CC=C(C=C1)O
    InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
    Synonyms: APAP | Cosutone | Paracetamol | Pyrinazine | Dirox | Exdol | Febrolin | N-Acetyl-p-aminophenol | Suppap | Acenol | 4-...
  5. Linolenic acid
    Cas#: 463-40-1        Compound CID:  5280934
    Formula:  C18H30O2        Molecular Weight: 278.44
    IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
    SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O
    InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
    InChI: 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...
  6. Schisandrin A, Agonist of Pregnane X receptor
    Cas#: 61281-38-7        Compound CID:  155256
    Formula:  C24H32O6        Molecular Weight: 416.51
    IUPAC 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-hexaene
    SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
    InChIKey: JEJFTTRHGBKKEI-OKILXGFUSA-N
    InChI: 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...
  7. Schisandrin A, Agonist of Pregnane X receptor
    Cas#: 61281-38-7        Compound CID:  155256
    Formula:  C24H32O6        Molecular Weight: 416.51
    IUPAC 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-hexaene
    SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
    InChIKey: JEJFTTRHGBKKEI-OKILXGFUSA-N
    InChI: 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: AKOS015960456 | (6R,7S,12aR)-5,6,7,8-Tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene | Meth...
  8. β-Estradiol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Agonist of GPER;Activator of K Ca1.1;Agonist of Pregnane X receptor;Inhibitor of Proton-coupled Amino acid Transporter 1
    Cas#: 50-28-2        Compound CID:  5757
    Formula:  C18H24O2        Molecular Weight: 272.38
    IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
    InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
    InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
    Synonyms: 3,17-Epidihydroxyestratriene | Estraderm TTS 50 | Dihydromenformon | Compudose 365 | Dihydroxyesterin | Estrace | Pri...
  9. Schisandrin A
    Cas#: 61281-38-7        Compound CID:  155256
    Formula:  C24H32O6        Molecular Weight: 416.51
    IUPAC 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-hexaene
    SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
    InChIKey: JEJFTTRHGBKKEI-OKILXGFUSA-N
    InChI: 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: AKOS015960456 | (6R,7S,12aR)-5,6,7,8-Tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene | Meth...
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