[Zn(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)] | 1261629-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: [Zn(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)]
• CAS: 1261629-16-6
• 化学式: C₂₁H₂₂O₈Zn
• 分子量: 467.791
• InChiKey: PRTWJGVZVVQTFJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  curcumin 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 生成 [Zn(OH)(water)(1,7-bis[4-hydroxy-3-methoxyphenyl]-1,6-heptadiene-3,5-dionate)]
  参考文献：
  名称：

  Interaction of curcumin with Zn(II) and Cu(II) ions based on experiment and theoretical calculation

  摘要：

  Curcumin and its complexes with Zn2+ and Cu2+ ions were synthesized and characterized by elemental analysis, mass spectroscopy, IR spectroscopy, UV spectroscopy, solution H-1 and solid-state C-13 NMR spectroscopy, EPR spectroscopy. In addition, the density functional theory (DFT)-based UV and C-13 chemical shift calculations were also performed to view insight into those compound structures and properties. The results show that curcumin easily chelate the metal ions, such as Zn2+ and Cu2+, and the Cu(II)-curcumin complex has an ability to scavenge free-radicals. We demonstrated the differences between Zn(II)-curcumin and Cu(II)-curcumin complexes in structure and properties, enhancing the comprehensions about the curcumin roles in the Alzhermer's disease treatment. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.09.049