tupichinol A | 497142-88-8

• 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: tupichinol A
• 英文别名: (2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
• CAS: 497142-88-8
• 化学式: C₁₇H₁₈O₄
• 分子量: 286.328
• InChiKey: PSCVPMJLJOIQKC-RHSMWYFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2R,3R)-3,4′-dihydroxy-7-methoxy-8-methylflavan-4′-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 生成 葡萄糖 、 tupichinol A
  参考文献：
  名称：

  Three spirostanol saponins and a flavane-O-glucoside from the fresh rhizomes of Tupistra chinensis

  摘要：

  Four new compounds, including three new spirostanol saponins [tupistroside G-I (1-3)] and a new flavane-O-glucoside [tupichiside A (4)], together with ten known compounds, were isolated from the fresh rhizomes of Tupistra chinensis. The structures of the new compounds were elucidated by spectroscopic analysis and chemical evidence. All compounds were tested in vitro for their cytotoxic activities against the Human LoVo and BGC-823 cell lines, and six of them were found to possess potent cytotoxicity. Compounds 2, 8 and 9 showed significant cytotoxicity against the tested tumor cell lines with 1050 values ranging from 02 to 0.9 mu M. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2015.02.008

表征谱图