halichonadin K | 1384271-31-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: halichonadin K
• CAS: 1384271-31-1
• 化学式: C₄₀H₆₅N₃O₅
• 分子量: 667.973
• InChiKey: HSBQKXRZECLEDC-FKRMZOIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  48.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  107.97
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  halichonadin K 在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Halichonadins K and L, New Dimeric Sesquiterpenoids from a Sponge Halichondria sp.

  摘要：

  Two new structurally unique dimeric sesquiterpenoids, halichonadins K (1) and L (2), were isolated from an Okinawan marine sponge Halichondria sp. The structures of 1 and 2 were elucidated on the basis of spectroscopic analysis including a single crystal X-ray diffraction analysis and chemical conversion. Halichonadins K (1) and L (2) are homodimers of the eudesmane sesquiterpene linked with a piperidine ring through amide bonds. Halichonadin K (1) showed moderate cytotoxicity against KB cells.

  DOI：

  10.1021/ol3014705

文献信息

• Halichonadins K and L, New Dimeric Sesquiterpenoids from a Sponge <i>Halichondria</i> sp.
  作者：Naonobu Tanaka、Shohei Suto、Haruaki Ishiyama、Takaaki Kubota、Akihito Yamano、Motoo Shiro、Jane Fromont、Jun’ichi Kobayashi

  DOI：10.1021/ol3014705

  日期：2012.7.6

  Two new structurally unique dimeric sesquiterpenoids, halichonadins K (1) and L (2), were isolated from an Okinawan marine sponge Halichondria sp. The structures of 1 and 2 were elucidated on the basis of spectroscopic analysis including a single crystal X-ray diffraction analysis and chemical conversion. Halichonadins K (1) and L (2) are homodimers of the eudesmane sesquiterpene linked with a piperidine ring through amide bonds. Halichonadin K (1) showed moderate cytotoxicity against KB cells.