按“信号通路”分类 - 小分子和化合物库

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全反式视黄醛
- ≥98%
CAS号: 116-31-4 EC号: 204-135-8

分子式: C₂₀H₂₈O 分子量: 284.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C

InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N

InChI: 1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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ABT-737,BH3模拟Bcl-xL，Bcl-2和Bcl-w抑制剂
- ≥97%
CAS号: 852808-04-9

分子式: C₄₂H₄₅ClN₆O₅S₂ 分子量: 813.43

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide

SMILES: CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]

InChIKey: HPLNQCPCUACXLM-PGUFJCEWSA-N

InChI: 1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-2See more
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杨梅素
- ≥97%
CAS号: 529-44-2 EC号: 208-463-2

分子式: C₁₅H₁₀O₈ 分子量: 318.24

IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N

InChI: 1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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杨梅素
- ≥98%
CAS号: 529-44-2 EC号: 208-463-2

分子式: C₁₅H₁₀O₈ 分子量: 318.24

IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N

InChI: 1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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去甲二氢愈创木酸
- ≥95%
CAS号: 500-38-9

分子式: C₁₈H₂₂O₄ 分子量: 302.37

IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N

InChI: 1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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迷迭香酸
- ≥97%
CAS号: 20283-92-5 Compound CID : 5281792

分子式: C₁₈H₁₆O₈ 分子量: 360.31

IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

InChI: 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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迷迭香酸
- ≥97%
CAS号: 20283-92-5 Compound CID : 5281792

分子式: C₁₈H₁₆O₈ 分子量: 360.31

IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

InChI: 1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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TW-37,小分子BCL-2抑制剂
- ≥98%
CAS号: 877877-35-5 Compound CID : 11455910

分子式: C₃₃H₃₅NO₆S 分子量: 573.71

IUPAC Name: N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide

SMILES: CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C

InChIKey: PQAPVTKIEGUPRN-UHFFFAOYSA-N

InChI: 1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
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视黄醇
- ≥95%
CAS号: 68-26-8 EC号: 200-683-7

分子式: C₂₀H₃₀O 分子量: 286.45

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

InChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N

InChI: 1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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1,2,3-三羟基蒽醌
- ≥98%
CAS号: 602-64-2

分子式: C₁₄H₈O₅ 分子量: 256.21

IUPAC Name: 1,2,3-trihydroxyanthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

InChIKey: AHKDJQYHVWSRLT-UHFFFAOYSA-N

InChI: 1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
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姜黄素
CAS号: 458-37-7 EC号: 207-280-5

分子式: C₂₁H₂₀O₆ 分子量: 368.38

IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

InChI: 1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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姜黄素
- ≥65%
CAS号: 458-37-7 EC号: 207-280-5

分子式: C₂₁H₂₀O₆ 分子量: 368.38

IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

InChI: 1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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