(+)-(7S,8S,7′E)-3,3′,4,5,5′-pentamethoxy-7-(2-hydroxyethylamino)-8,4′-oxyneolign-7′-ene-9,9′-diol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+)-(7S,8S,7′E)-3,3′,4,5,5′-pentamethoxy-7-(2-hydroxyethylamino)-8,4′-oxyneolign-7′-ene-9,9′-diol
• 英文别名: hispidcine；(2S,3S)-3-(2-hydroxyethylamino)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-3-(3,4,5-trimethoxyphenyl)propan-1-ol
• 化学式: C₂₅H₃₅NO₉
• 分子量: 493.554
• InChiKey: PJHVGDSVHPBDFB-ZLHQQMCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  35
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (+)-(7S,8S,7′E)-3,3′,4,5,5′-pentamethoxy-7-(2-hydroxyethylamino)-8,4′-oxyneolign-7′-ene-9,9′-diol 、 溶剂黄146 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 以65%的产率得到
  参考文献：
  名称：

  Hispidacine, an unusual 8,4′-oxyneolignan-alkaloid with vasorelaxant activity, and hispiloscine, an antiproliferative phenanthroindolizidine alkaloid, from Ficus hispida Linn.

  摘要：

  Hispidacine, an 8,4'-oxyneolignan featuring incorporation of an unusual 2-hydroxyethylamine moiety at C-7, and hispiloscine, a phenanthroindolizidine alkaloid, were isolated from the stem-bark and leaves of the Malaysian Ficus hispida Linn. Their structures were established by spectroscopic analysis. Hispidacine induced a moderate vasorelaxant activity in rat isolated aorta, while hispiloscine showed appreciable antiproliferative activities against MDA-MB-231, MCF-7, A549, HCT-116 and MRC-5 cell lines. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2014.10.032