N¹,N⁵-di-p-coumaroyl-N¹⁰-caffeoylspermidine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N¹,N⁵-di-p-coumaroyl-N¹⁰-caffeoylspermidine
• 英文别名: (E)-N-[4-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]amino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide
• 化学式: C₃₄H₃₇N₃O₇
• 分子量: 599.684
• InChiKey: PYXJSYQYQYNWGP-OISSRVDXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  159
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N¹,N⁵-di-p-coumaroyl-N¹⁰-caffeoylspermidine 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 4.0h， 生成 TRANS-咖啡酸 、 4-香豆酸
  参考文献：
  名称：

  Trisubstituted hydroxycinnamic acid spermidines from Quercus dentata pollen

  摘要：

  Three novel and one known hydroxycinnamic acid amides were isolated from pollen of Quercus dentata Thunb. They were identified as N-1,N-5,N-10-tricaffeoylspermidine, N-1-p-coumaroyl-N-5,N-10-dicaffeoylspermidine, N-1,N-10-di-p-coumaroyl-N-5-caffeoylspermidine and N-1,N-5,N-10-tri-p-coumaroylspermidine, respectively. Information on the position of the hydroxycinnamoyl moieties was derived from electrospray mass spectral fragmentation patterns.

  DOI：

  10.1016/0031-9422(95)00151-v

文献信息

• Trisubstituted hydroxycinnamic acid spermidines from Quercus dentata pollen
  作者：Maria Bokern、Ludger Witte、Victor Wray、Manfred Nimtz、Barbara Meurer-Grimes

  DOI：10.1016/0031-9422(95)00151-v

  日期：1995.8

  Three novel and one known hydroxycinnamic acid amides were isolated from pollen of Quercus dentata Thunb. They were identified as N-1,N-5,N-10-tricaffeoylspermidine, N-1-p-coumaroyl-N-5,N-10-dicaffeoylspermidine, N-1,N-10-di-p-coumaroyl-N-5-caffeoylspermidine and N-1,N-5,N-10-tri-p-coumaroylspermidine, respectively. Information on the position of the hydroxycinnamoyl moieties was derived from electrospray mass spectral fragmentation patterns.