Cytochrome P450 - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

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3-氰基-7-乙氧基香豆素

规格或纯度 :

≥96%

CAS号 : 117620-77-6 Compound CID : 164045

分子式: C₁₂H₉NO₃ 分子量: 215.2

IUPAC Name: 7-ethoxy-2-oxochromene-3-carbonitrile

SMILES: CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C#N

InChIKey: YAFGHMIAFYQSCF-UHFFFAOYSA-N

InChI: InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3

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金丝桃素

规格或纯度 :

分析标准品

Moligand™

≥96%

CAS号 : 548-04-9 Compound CID : 3663

分子式: C₃₀H₁₆O₈ 分子量: 504.44

IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione

SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

InChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-N

InChI: InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3

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金丝桃素

规格或纯度 :

Moligand™

≥96%

CAS号 : 548-04-9 Compound CID : 3663

分子式: C₃₀H₁₆O₈ 分子量: 504.44

IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione

SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

InChIKey: YDOIFHVUBCIUHF-UHFFFAOYSA-N

InChI: InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3

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4-咪唑-1-苯乙酮

规格或纯度 :

≥96%

CAS号 : 10041-06-2 Compound CID : 82316

分子式: C₁₁H₁₀N₂O 分子量: 186.21

IUPAC Name: 1-(4-imidazol-1-ylphenyl)ethanone

SMILES: CC(=O)C1=CC=C(C=C1)N2C=CN=C2

InChIKey: GAIQQJIMVVUTQN-UHFFFAOYSA-N

InChI: InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3

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人参皂甙F1

规格或纯度 :

≥96%

CAS号 : 53963-43-2 Compound CID : 9809542

分子式: C₃₆H₆₂O₉ 分子量: 638.87

IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol

SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C

InChIKey: XNGXWSFSJIQMNC-FIYORUNESA-N

InChI: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1

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灌木远志酮 A

规格或纯度 :

≥96%

CAS号 : 38210-27-4 Compound CID : 441965

分子式: C₁₆H₈O₄ 分子量: 264.23

IUPAC Name: chromeno[4,3-b]chromene-6,7-dione

SMILES: C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4O3)C(=O)O2

InChIKey: RFWULRHBGYKEEZ-UHFFFAOYSA-N

InChI: InChI=1S/C16H8O4/c17-14-9-5-1-3-7-11(9)19-15-10-6-2-4-8-12(10)20-16(18)13(14)15/h1-8H

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APD668

规格或纯度 :

Moligand™

≥96%

CAS号 : 832714-46-2 Compound CID : 11705608

分子式: C₂₁H₂₄FN₅O₅S 分子量: 477.51

IUPAC Name: propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

SMILES: CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F

InChIKey: XTRUQJBVQBUKSQ-UHFFFAOYSA-N

InChI: InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3

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芹菜素

规格或纯度 :

≥96%

CAS号 : 520-36-5 Compound CID : 5280443

分子式: C₁₅H₁₀O₅ 分子量: 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

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