RAR/RXR
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CD 3254,RXRα激动剂CAS号: 196961-43-0分子式: C24H28O3 分子量: 364.48IUPAC Name: (E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acidSMILES: CC1=CC2=C(C=C1C3=C(C=CC(=C3)C=CC(=O)O)O)C(CCC2(C)C)(C)CInChIKey: DYLLZSVPAUUSSB-VQHVLOKHSA-NInChI: 1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
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CD 2665,RARβ/γ拮抗剂CAS号: 170355-78-9分子式: C31H34O5 分子量: 486.6IUPAC Name: 4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acidSMILES: COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5InChIKey: JBALRFFXKQPVLT-UHFFFAOYSA-NInChI: 1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)
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CD 2314,RARβ激动剂CAS号: 170355-37-0分子式: C23H24O2S 分子量: 364.5IUPAC Name: 5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acidSMILES: CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=CS4)C(=O)O)(C)C)CInChIKey: URUSABQSUCBGGJ-UHFFFAOYSA-NInChI: 1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
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BMS 961,RARγ激动剂CAS号: 185629-22-5分子式: C23H26FNO4 分子量: 399.46IUPAC Name: 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)CInChIKey: AANFHDFOMFRLLR-UHFFFAOYSA-NInChI: 1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
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BMS 493,泛RAR反向激动剂CAS号: 215030-90-3分子式: C29H24O2 分子量: 404.5IUPAC Name: 4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acidSMILES: CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)CInChIKey: YCADIXLLWMXYKW-CMDGGOBGSA-NInChI: 1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
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BMS 453,合成类维生素A和RARβ激动剂CAS号: 166977-43-1分子式: C27H24O2 分子量: 380.48IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acidSMILES: CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)CInChIKey: VUODRPPTYLBGFM-CMDGGOBGSA-NInChI: 1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
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AGN 193109,泛RAR拮抗剂CAS号: 171746-21-7分子式: C28H24O2 分子量: 392.49IUPAC Name: 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acidSMILES: CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)CInChIKey: NCEQLLNVRRTCKJ-UHFFFAOYSA-NInChI: 1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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AC 261066,RARβ2激动剂CAS号: 870773-76-5分子式: C17H20FNO4S 分子量: 353.41IUPAC Name: 4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acidSMILES: CCCCOCCOC1=C(SC(=N1)C2=CC(=C(C=C2)C(=O)O)F)CInChIKey: HSAOETBFVAWNRP-UHFFFAOYSA-NInChI: 1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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AC 55649,RARβ2激动剂CAS号: 59662-49-6分子式: C21H26O2 分子量: 310.44IUPAC Name: 4-(4-octylphenyl)benzoic acidSMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OInChIKey: HXBKPYIEQLLNBK-UHFFFAOYSA-NInChI: 1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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全反式4-羟基维甲酸CAS号: 66592-72-1 Compound CID : 6438629分子式: C20H28O3 分子量: 316.43IUPAC Name: (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: KGUMXGDKXYTTEY-FRCNGJHJSA-NInChI: 1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
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全反式5,6-环氧视黄酸CAS号: 13100-69-1 Compound CID : 5363137分子式: C20H28O3 分子量: 316.43IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC(=CC=CC(=CC(=O)O)C)C=CC12C(CCCC1(O2)C)(C)CInChIKey: KEEHJLBAOLGBJZ-WEDZBJJJSA-NInChI: 1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+
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9-顺式视黄酸CAS号: 5300-03-8 EC号: 610-929-9, 691-439-2分子式: C20H28O2 分子量: 300.435IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: SHGAZHPCJJPHSC-ZVCIMWCZSA-NInChI: 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+
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