cottoquinazoline C

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: cottoquinazoline C
• 英文别名: Cottoquinazoline C；(1R,3S,12R,14R,27S)-3-[(2S)-butan-2-yl]-12-hydroxy-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
• 化学式: C₂₆H₂₅N₅O₄
• 分子量: 471.516
• InChiKey: PZOAJKRRXRFASI-OPYINKAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cottoquinazoline C 在 盐酸 、 水 作用下， 反应 12.0h， 生成 L-异亮氨酸
  参考文献：
  名称：

  New Quinazolinone Alkaloids within Rare Amino Acid Residue from Coral-Associated Fungus, Aspergillus versicolor LCJ-5-4

  摘要：

  Cottoquinazoline D (3), a new alkaloid with a 1-aminocyclopropane-1-carboxylic acid residue rarely discovered in nature, was isolated and identified together with two new quinazolinone alkaloids, cottoquinazolines B (1) and C (2), from coral-associated fungus Aspergillus versicolor LCJ-5-4. Their structures including absolute configurations were elucidated based on spectroscopic methods, X-ray single crystal diffraction analysis, and chemical methods. A possible biogenetic pathway for them was proposed.

  DOI：

  10.1021/ol103164n

文献信息

• New Quinazolinone Alkaloids within Rare Amino Acid Residue from Coral-Associated Fungus, <i>Aspergillus versicolor</i> LCJ-5-4
  作者：Yibin Zhuang、Xiancun Teng、Yi Wang、Peipei Liu、Guoqiang Li、Weiming Zhu

  DOI：10.1021/ol103164n

  日期：2011.3.4

  Cottoquinazoline D (3), a new alkaloid with a 1-aminocyclopropane-1-carboxylic acid residue rarely discovered in nature, was isolated and identified together with two new quinazolinone alkaloids, cottoquinazolines B (1) and C (2), from coral-associated fungus Aspergillus versicolor LCJ-5-4. Their structures including absolute configurations were elucidated based on spectroscopic methods, X-ray single crystal diffraction analysis, and chemical methods. A possible biogenetic pathway for them was proposed.