按“信号通路”分类 - 小分子和化合物库

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美伐他汀
- ≥96%(HPLC)
CAS号: 73573-88-3

分子式: C₂₃H₃₄O₅ 分子量: 390.51

IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

SMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O

InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N

InChI: 1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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尿苷-5′-二磷酸二钠盐水合物
- ≥96%(HPLC)
CAS号: 27821-45-0 EC号: 248-678-9 Compound CID : 11957711

分子式: C₉H₁₂N₂Na₂O₁₂P₂·xH₂O 分子量: 448.12 (anhydrous basis)

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

InChIKey: ZQKVPFKBNNAXCE-WFIJOQBCSA-L

InChI: 1S/C9H14N2O12P2.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
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β-胡萝卜素
- ≥96%(HPLC)
CAS号: 7235-40-7 EC号: 230-636-6

分子式: C₄₀H₅₆ 分子量: 536.87

IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C

InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N

InChI: 1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-See more
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大黄素
- ≥96%(HPLC)
CAS号: 518-82-1

分子式: C₁₅H₁₀O₅ 分子量: 270.24

IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

InChI: 1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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β-内啡肽,人
- ≥96%(HPLC)
CAS号: 61214-51-5 Compound CID : 16132316

分子式: C₁₅₈H₂₅₁N₃₉O₄₆S 分子量: 3464.98

IUPAC Name: (2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)See more

SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CCSee more

InChIKey: JMHFFDIMOUKDCZ-NTXHZHDSSA-N

InChI: 1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)17See more
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非瑟酮
- ≥96%(HPLC)
CAS号: 528-48-3

分子式: C₁₅H₁₀O₆ 分子量: 286.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O

InChIKey: XHEFDIBZLJXQHF-UHFFFAOYSA-N

InChI: 1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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异丹叶大黄素
- ≥96%(HPLC)
CAS号: 32507-66-7

分子式: C₁₅H₁₄O₄ 分子量: 258.27

IUPAC Name: 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol

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

InChIKey: ANNNBEZJTNCXHY-NSCUHMNNSA-N

InChI: 1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
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利诺安
- ≥96%(HPLC)
CAS号: 84088-42-6

分子式: C₁₈H₁₆N₂O₃ 分子量: 308.34

IUPAC Name: 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

SMILES: CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O

InChIKey: SGOOQMRIPALTEL-UHFFFAOYSA-N

InChI: 1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
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醋酸孕甾酮
- ≥96%(HPLC)
CAS号: 595-33-5

分子式: C₂₄H₃₂O₄ 分子量: 384.52

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

InChIKey: RQZAXGRLVPAYTJ-GQFGMJRRSA-N

InChI: 1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
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模绕酮酸
- ≥96%(HPLC)
CAS号: 6713-27-5

分子式: C₃₀H₄₆O₃ 分子量: 454.7

IUPAC Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)C

InChIKey: UMYJVVZWBKIXQQ-QALSDZMNSA-N

InChI: 1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
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N-羟基-3-[1-(苯基硫代)甲基-1H-1,2,3-三氮唑-4-基]苯甲酰胺
- ≥96%(HPLC)
CAS号: 1316652-41-1

分子式: C₁₆H₁₄N₄O₂S 分子量: 326.37

IUPAC Name: N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide

SMILES: C1=CC=C(C=C1)SCN2C=C(N=N2)C3=CC(=CC=C3)C(=O)NO

InChIKey: DORPIZJGSLWDIY-UHFFFAOYSA-N

InChI: 1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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4-叔丁基杯[4]芳烃-O,O',O'',O'''-四乙酸四乙酯
- ≥96%(HPLC)
CAS号: 97600-39-0 Compound CID : 2724889

分子式: C₆₀H₈₀O₁₂ 分子量: 993.29

IUPAC Name: ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate

SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C

InChIKey: HZHADWCIBZZJNV-UHFFFAOYSA-N

InChI: 1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67See more
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