(-)-Epicatechin (4β-> 8) (-)-4'-methylepigallocatechin

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (-)-Epicatechin (4β-> 8) (-)-4'-methylepigallocatechin
• 英文别名: (2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• 化学式: C₃₁H₂₈O₁₃
• 分子量: 608.556
• InChiKey: ADKHKBZKHGJXDZ-NFJBMHMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  230
• 氢给体数：
  10
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  苄硫醇 、 (-)-Epicatechin (4β-> 8) (-)-4'-methylepigallocatechin 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 4β-benzylthioepicatechin
  参考文献：
  名称：

  Phenolics from Maytenus senegalensis

  摘要：

  Two new methylated flavan-3-ol glucosides and a methylated proanthocyanidin were isolated from the MeOH extract of the stem-bark of Maytenus senegalensis, together with five known compounds. The structures of the new compounds were determined as: (-)-4'-methylepigallocatechin 5-O-beta-glucopyranoside, (+)-4'-methylgallocatechin 3'-O-beta-glucopyranoside and (-)-epicatechin (4 beta --> 8) (-)-4'-methylepigallocatechin by chemical and spectroscopic means. The MeOH and H2O extracts showed moderate inhibitory effects against HIV-1 protease. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00571-8

文献信息

• Phenolics from Maytenus senegalensis
  作者：Ghazi Hussein、Norio Nakamura、Meselhy R Meselhy、Masao Hattori

  DOI：10.1016/s0031-9422(98)00571-8

  日期：1999.2

  Two new methylated flavan-3-ol glucosides and a methylated proanthocyanidin were isolated from the MeOH extract of the stem-bark of Maytenus senegalensis, together with five known compounds. The structures of the new compounds were determined as: (-)-4'-methylepigallocatechin 5-O-beta-glucopyranoside, (+)-4'-methylgallocatechin 3'-O-beta-glucopyranoside and (-)-epicatechin (4 beta --> 8) (-)-4'-methylepigallocatechin by chemical and spectroscopic means. The MeOH and H2O extracts showed moderate inhibitory effects against HIV-1 protease. (C) 1998 Elsevier Science Ltd. All rights reserved.