(-)-hydnocarpin 5,7,4'',9''-tetraacetate | 1146223-64-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 黄酮木脂素
• 英文名称: (-)-hydnocarpin 5,7,4'',9''-tetraacetate
• 英文别名: [(2S,3S)-2-(4-acetyloxy-3-methoxyphenyl)-6-(5,7-diacetyloxy-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
• CAS: 1146223-64-4
• 化学式: C₃₃H₂₈O₁₃
• 分子量: 632.578
• InChiKey: NARVTFUJLQKXLI-WEZIJMHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  159
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  乙酸酐 、 hydnocarpin 在 吡啶 作用下， 生成 (-)-hydnocarpin 5,7,4'',9''-tetraacetate
  参考文献：
  名称：

  Bioactivity-guided isolation of cytotoxic constituents of Brucea javanica collected in Vietnam

  摘要：

  Five new triterpenoids (1-5), together with two known quassinoids, bruceantin (6) and bruceine A (7), and a known. avonolignan, (-)-hydnocarpin (8), were isolated from the chloroform-soluble subfraction of a methanol extract of the combined twigs, leaves, and in florescence of Brucea javanica collected in Vietnam. The structures of the new compounds 1 - 5 were established on the basis of spectroscopic methods. All isolates were evaluated for cytotoxicity against a small panel of human cancer cell lines. Quassinoids 6 and 7 were found to be highly active against these cell lines. (-)- Hydnocarpin ( 8) showed a potentiating effect when combined with both 6 and 7, during cytotoxicity testing using the MCF-7 human breast cancer cell line. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.076