mollicellin B | 68455-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: mollicellin B
• 英文别名: 10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde
• CAS: 68455-07-2
• 化学式: C₂₁H₁₈O₇
• 分子量: 382.37
• InChiKey: OMOOHFQAZTVBPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  mollicellin K 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以91%的产率得到mollicellin B
  参考文献：
  名称：

  Antimalarial and Cytotoxic Depsidones from the Fungus Chaetomium brasiliense

  摘要：

  Four new depsidones, mollicellins K-N (1-4), and six known depsidones, mollicellins B (5), C (6), E (7), F (8), H (9), and J (10), along with two known sterols were isolated from the fungus Chaetomium brasiliense. Their structures were elucidated on the basis of 1D and 2D NMR spectroscopic data and chemical transformation. Among these isolates, 1-3, 5-7, and 10 exhibited antimalarial activity against Plasmodium falciparum. Only 1 exhibited anti mycobacterial activity against Mycobacterium tuberculosis and antifungal activity against Candida albicans using in vitro assays. In addition, 1-10 showed cytotoxicity against the KB, BCI, NCI-H187, and five cholangiocarcinoma cell lines.

  DOI：

  10.1021/np9003189

文献信息

• Antimalarial and Cytotoxic Depsidones from the Fungus <i>Chaetomium brasiliense</i>
  作者：Primmala Khumkomkhet、Somdej Kanokmedhakul、Kwanjai Kanokmedhakul、Chariya Hahnvajanawong、Kasem Soytong

  DOI：10.1021/np9003189

  日期：2009.8.28

  Four new depsidones, mollicellins K-N (1-4), and six known depsidones, mollicellins B (5), C (6), E (7), F (8), H (9), and J (10), along with two known sterols were isolated from the fungus Chaetomium brasiliense. Their structures were elucidated on the basis of 1D and 2D NMR spectroscopic data and chemical transformation. Among these isolates, 1-3, 5-7, and 10 exhibited antimalarial activity against Plasmodium falciparum. Only 1 exhibited anti mycobacterial activity against Mycobacterium tuberculosis and antifungal activity against Candida albicans using in vitro assays. In addition, 1-10 showed cytotoxicity against the KB, BCI, NCI-H187, and five cholangiocarcinoma cell lines.