gibellulin A

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 英文名称: gibellulin A
• 英文别名: aspergilol E；Gibellulin A；4,7-dimethyldibenzo-p-dioxin-1,2,9-triol
• 化学式: C₁₄H₁₂O₅
• 分子量: 260.246
• InChiKey: SLUOGPAEXYFDPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  79.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  gibellulin A 、 碘甲烷 在 potassium carbonate 作用下， 生成 1,2,9-Trimethoxy-4,7-dimethyldibenzo-p-dioxin
  参考文献：
  名称：

  Antibacterial and anti-phytopathogenic substances from the insect pathogenic fungus Gibellula sp. BCC36964

  摘要：

  Four new compounds (1-4), which were (-)-(7R)-7-O-methylsydonic acid, gibellulic acid, gibellulins A and B, together with 14 known compounds (5-17 and orcinol) were isolated from the insect pathogenic fungus, Gibellula sp. BCC36964. The chemical structures were elucidated by employing NMR spectroscopic techniques, physico-chemical data, and chemical method. These compounds were evaluated for the biological activities including anti-bacterial, anti-phytopathogenic, anti-Herpes simplex virus-type 1 activities, and cytotoxicity against both cancerous (MCF-7, KB, NCI-H187) and non-cancerous (Vero) cells. (C) 2015 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2015.03.011