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异莲心碱 | 6817-41-0

异莲心碱
Isoliensinine
6817-41-0
C37H42N2O6
610.7392
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异莲心碱结构式
10100278
异莲心碱价格
简介
Isoliensinine 是从 Nelumbo nucifera 种子胚中提取的双苄基异喹啉生物碱,具有一种具有抗氧化、抗炎、抗癌活性活性。Isoliensinine 能诱导三阴性乳腺癌细胞凋亡。
名称和标识符
MDL MFCD11042260
InChIKey AJPXZTKPPINUKN-FIRIVFDPSA-N
Inchi 1S/C37H42N2O6/c1-38-15-13-26-20-36(44-5)37(22-29(26)30(38)16-23-6-9-27(42-3)10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(43-4)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
SMILES O(C1=C(C([H])=C([H])C(=C1[H])C([H])([H])[C@]1([H])C2=C([H])C(=C(C([H])=C2C([H])([H])C([H])([H])N1C([H])([H])[H])OC([H])([H])[H])O[H])O[H])C1=C(C([H])=C2C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C3C([H])=C([H])C(=C([H])C=3[H])OC([H])([H])[H])C2=C1[H])OC([H])([H])[H]
别名信息
- 中文别名 -
  • 异莲心碱
  • 异莲心碱(标准品)
  • 异莲心碱 植物提取物,标准品,对照品
  • 异莲心碱对照品
  • 异莲心碱&amp
  • 异莲心碱 对照品,标准品,中草药
  • 异莲心碱(对照品)
- 英文别名 -
  • Isoliensinine
  • (1R)-1-(4-hydroxy-3-{[(1R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • (1R)-1-[[4-hydroxy-3-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
  • &amp
  • Isoliensinin
  • nbsp
  • ​BE188EL
  • (+)-Isoliensinin
  • (1R)-1,2,3,4-Tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-((1,2,3,4-tetrahydro-6-methoxy-1-((4-methoxyphenyl)methyl)-2-methyl-7-isoquinolinyl)oxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-
  • X1166
  • N2394
  • A1468
  • B2703-464368
  • B2703-464368
  • 1-{[4-hydroxy-3-({6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • 1-{[4-hydroxy-3-({6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • AS-83163
  • AS-83163
  • 1-[[4-hydroxy-3-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
  • 1-[[4-hydroxy-3-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
  • SCHEMBL12807696
  • SCHEMBL12807696
  • AC-34956
  • AC-34956
  • DTXSID60218346
  • DTXSID60218346
  • CS-0009795
  • CS-0009795
  • AKOS015902511
  • AKOS015902511
  • MFCD11042260
  • MFCD11042260
  • CHEBI:185701
  • CHEBI:185701
  • CHEMBL502370
  • CHEMBL502370
  • s9247
  • s9247
  • CCG-270232
  • CCG-270232
  • (R)-1-(4-Hydroxy-3-(((R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • (R)-1-(4-Hydroxy-3-(((R)-6-methoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)benzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • HY-N0770
  • HY-N0770
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7-isoquinolinyl]oxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-
  • Q-100768
  • Q-100768
  • 6817-41-0
  • 6817-41-0
物化性质
实验特性
LogP 6.33510
PSA 83.86000
沸点 723.1±60.0 °C at 760 mmHg
熔点 69-71 ºC
闪点 391.1±32.9 °C
颜色与性状 White powder
密度 1.218
计算特性
精确分子量 610.30400
氢键供体数量 2
氢键受体数量 8
可旋转化学键数量 9
同位素质量 610.30428706 g/mol
重原子数量 45
复杂度 917
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
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) 6.4
拓扑分子极性表面积 83.9
分子量 610.7
相关文献
专业数据库参考
PubChemId 10100278
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