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  1. Bisphenol A, Antagonist of Androgen receptor;Agonist of Estrogen receptor-β
    Cas#: 80-05-7        Compound CID:  6623
    Formula:  C15H16O2        Molecular Weight: 228.29
    IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
    InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
    Synonyms: Bis(4-hydroxyphenyl) dimethylmethane | bis-phenol-a | Bisphenol-A | DTXCID30182 | 4,2-propane | 4,4'-Dihydroxdiphenyl...
  2. Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
    Cas#: 10540-29-1       
    Formula:  C26H29NO        Molecular Weight: 371.51
    IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
    SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N
    InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
    Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
  3. Genistein, Activator of CFTR;Agonist of Estrogen receptor-β;Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ;Agonist of TAS2R14;Agonist of TAS2R39;Activator of TRPC5
    Cas#: 446-72-0        Compound CID:  5280961
    Formula:  C15H10O5        Molecular Weight: 270.24
    IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
    InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
    Synonyms: cid_5280961 | GTPL2826 | BRN 0263823 | DH2M523P0H | MolMap_000022 | GENISTEIN (USP-RS) | Differenol A | GENISTEIN [MI...
  4. Biochanin A, Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ
    Cas#: 491-80-5        Compound CID:  5280373
    Formula:  C16H12O5        Molecular Weight: 284.26
    IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
    SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
    InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-N
    InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
    Synonyms: 5,7-Dihydrox -4'-methoxyisoflavone | B4098 | IDI1_001027 | KBio1_001027 | NCGC00017369-01 | Opera_ID_621 | Tox21_3029...
  5. Bisphenol A
    Cas#: 80-05-7        Compound CID:  6623
    Formula:  C15H16O2        Molecular Weight: 228.29
    IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
    InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
    Synonyms: Bisphenol A|80-05-7|2,2-Bis(4-hydroxyphenyl)propane|4,4'-Isopropylidenediphenol|Diphenylolpropane|4,4'-Bisphenol A|Bi...
  6. Tacrolimus(anhydrous)(FK506), Inhibitor of FKBP prolyl isomerase 1A;Activator of TRPM8
    Cas#: 104987-11-3        Compound CID:  445643
    Formula:  C44H69NO12        Molecular Weight: 804.02
    IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
    SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
    InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N
    InChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
    Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
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