3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl dimethyl phosphate | 1022082-10-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl dimethyl phosphate
• CAS: 1022082-10-5
• 化学式: C₁₇H₁₅O₇P
• 分子量: 362.276
• InChiKey: RWIWGASGXIUNPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.2
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  大豆甙元 、 亚磷酸二甲酯 在 四氯化碳 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl dimethyl phosphate
  参考文献：
  名称：

  ESI Investigation of Non-Covalent Complexes between Phosphorylated Daidzein Derivatives and Insulin

  摘要：

  Since the end of the last century, ESI-MS has begun to be used to reveal the existence of non-covalent complexes, providing important stoichiometric information. Many researchers have reported the use of ESI-MS to determine dissociation constants of such complexes. Gas phase dissociation constants measured in this way have been found to correlate well with those measured by solution based techniques. (1.2) In this article, ESI results show that all the phosphorylated daidzein derivatives can form non-covalent complexes with the protein insulin, while non-covalent complexes were not detected in solutions of unphosphorylated daidzein and insulin. The relative affinity of each non-covalent complex was obtained according to its different decomposition orifice voltage. Compound e has the highest disappearing orifice voltage and therefore the strongest binding affinity. The relative stability of the non-covalent complexes was closely associated with the length of the hydrophobic chain.

  DOI：

  10.1080/10426500701761763