mappiodine C

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 育亨宾生物碱
• 英文名称: mappiodine C
• 英文别名: MappiodineC；(1S,12S,15S,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-12,19-dicarboxylic acid
• 化学式: C₂₁H₂₂N₂O₆
• 分子量: 398.415
• InChiKey: XCHQOAXKIOZNDD-NUEXOINESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  mappiodoside C 在 β-cellulase 作用下， 以 水 为溶剂， 反应 48.0h， 生成 葡萄糖 、 mappiodine C
  参考文献：
  名称：

  Terpenoid indole alkaloids from Mappianthus iodoides Hand.-Mazz.

  摘要：

  Ten terpenoid indole alkaloids, mappiodines A-C and mappiodosides A-G, together with eight known compounds, were isolated from stems of Mappianthus iodoides Hand.-Mazz. Their structures were elucidated by spectroscopic analyses including 1D, 2D NMR, MS and CD methods. The ten compounds were evaluated for their cytotoxic activity, but were inactive. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2014.01.004