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番泻苷元A | 641-12-3

番泻苷元A结构式图片|641-12-3结构式图片
番泻苷元A
Sennidin A
641-12-3
C30H18O10
538.4579
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:番泻苷元A结构式
122839
番泻苷元A价格
简介
Sennidin A 可从Cassia angustifolia 分离得到,能够抑制HCV NS3 解旋酶,其 IC50 值为0.8 μM。Sennidin A诱导Akt和葡萄糖转运蛋白4 (GLUT4) 的磷酸化。Sennidin A刺激葡萄糖掺入。
名称和标识符
MDL MFCD32662425
InChIKey JPMRHWLJLNKRTJ-UHFFFAOYSA-N
Inchi 1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)
SMILES O=C1C2C(=C([H])C([H])=C([H])C=2C([H])(C2C([H])=C(C(=O)O[H])C([H])=C(C=21)O[H])C1([H])C2C([H])=C([H])C([H])=C(C=2C(C2C(=C([H])C(C(=O)O[H])=C([H])C1=2)O[H])=O)O[H])O[H]
别名信息
- 中文别名 -
  • 番泻苷元A
  • zzstandard 品牌 番泻苷元A对照品
  • 番泻甙元 A(RG)
  • 番泻甙元A
  • 番泻苷A
  • 番泻叶甙A
  • 番泻甙元 A
- 英文别名 -
  • [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-,(9R,9'R)-rel-(+)-
  • [9,9'-Bianthracene]-2,2'-dicarboxylicacid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10...
  • SENNIDINE A
  • SENNIDINE A(RG) PrintBack
  • Sennidin A
  • (+)-4,5,4',5'-Tetrahydroxy-10,10'-dioxo-9,10,9',10'-tetrahydro-[9,9']bianthryl-2,2'-dicarbonsaeure
  • (+)-4,5,4',5'-tetrahydroxy-10,10'-dioxo-9,10,9',10'-tetrahydro-[9,9']bianthryl-2,2'-dicarboxylic acid
  • (R*,R*)-(+)-9,9',10,10'-Tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxyli
  • 1',1,8',8-Tetrahydroxy-10,10'-dihydroanthrone-3,3'-dicarboxylic acid
  • dihydroxydianthrone
  • EINECS 211-371-5
  • SENECIONINE(SH)
  • Sennidin
  • Sennidin-B
  • NSC658576
  • 8257AH
  • A14835
  • 641-12-3
  • 9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (9R,9'R)-
  • Q27285465
  • AKOS030573520
  • DTXSID601318488
  • (9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
  • FS-10383
  • SennidinA
  • SCHEMBL17166294
  • CHEMBL5197294
  • (9R,9'R)-4,4',5,5'-Tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid
  • O8793FIM31
  • UNII-O8793FIM31
  • HY-N6936
  • (R*,R*)-(+)-9,9',10,10'-Tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid
  • (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,R*)-(+)-
  • CS-0027785
  • Dihydroxydianthrone
  • (9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (9R,9'R)-REL-(+)-
  • (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,R*)-(+)-
  • NS00041749
  • AC-34224
  • 4,4',5,5'-tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
  • SennidinB
  • 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
  • FT-0688309
  • [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-
  • Sennidine A
  • F82149
  • MFCD32662425
  • DTXSID50862099
  • FT-0603502
  • 4,4',5,5'-Tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro[9,9'-bianthracene]-2,2'-dicarboxylic acid
  • SENNIDINEA
  • CHEMBL227796
物化性质
实验特性
LogP 3.95820
PSA 189.66000
溶解度 Insuluble (9.2E-8 g/L) (25 ºC),
密度 1.695±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 538.09000
氢键供体数量 6
氢键受体数量 10
可旋转化学键数量 3
同位素质量 538.08999677 g/mol
重原子数量 40
复杂度 977
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 2
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4.8
拓扑分子极性表面积 190
分子量 538.5
国际标准相关数据
EINECS 211-371-5
专业数据库参考
PubChemId 122839
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