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  1. Retinoic acid
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  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. Apigenin, Activator of CFTR
    Cas#: 520-36-5        Compound CID:  5280443
    Formula:  C15H10O5        Molecular Weight: 270.24
    IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
    InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
    Synonyms: Chamomile | Apigenine | Versulin | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5,7-dihydroxy-2-(4-hydroxyphe...
  4. 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 ...
  5. (-)-Epigallocatechin gallate
    Cas#: 989-51-5        Compound CID:  65064
    Formula:  C22H18O11        Molecular Weight: 458.37
    IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES: 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)O
    InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N
    InChI: 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/s1
    Synonyms: EGCG | 3-O-Gallate
  6. Luteolin, Agonist of TAS2R14;Agonist of TAS2R39
    Cas#: 491-70-3        Compound CID:  5280445
    Formula:  C15H10O6        Molecular Weight: 286.24
    IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
    SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
    InChIKey: IQPNAANSBPBGFQ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
    Synonyms: Digitoflavone | Luteolol | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
  7. Reserpine, Synaptic vesicular amine transporter inhibitor
    Cas#: 50-55-5        Compound CID:  5770
    Formula:  C33H40N2O9        Molecular Weight: 608.68
    IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
    InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N
    InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
    Synonyms: Carditivo | Eberpine | Rautrin | Reserp | Reserpil | Benazyl | Diurese-R | Eskaserp | Gilucard | Hydroserp | Reserpam...
  8. Retinoic acid, Retinoic acid receptor agonist
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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