Plakinidine D | 197234-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: Plakinidine D
• 英文别名: 8-amino-3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(20),2(7),8,10,12,14,16,18-octaen-6-one；7-Amino-9,10-dihydro-11H-6,11,12-triaza-benzo[e]aceanthrylen-8-one
• CAS: 197234-19-8
• 化学式: C₁₇H₁₂N₄O
• 分子量: 288.308
• InChiKey: XQMSONSBRQAXNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.37
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Plakinidine D 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以6 mg的产率得到8,9,10,11-Tetrahydro-6,11,12-triaza-benzo[e]aceanthrylen-7-ylamine
  参考文献：
  名称：

  Plakinidine D, a New Pyrroloacridine Alkaloid from the Ascidian Didemnum rubeum

  摘要：

  Plakinidine D (4), a new pyrroloacridine metabolite, was isolated together with the known compound 3,5-diiodo-4-methoxyphenethylamine (5) from the ascidian Didemnum rubeum collected near the island of Rota, Northern Mariana Islands. Spectroscopic methods were used to determine the structure of plakinidine D, which was also confirmed through the formation and characterization of the derivatives N-acetylplakinidine D and 11-deoxyplakinidine D. Plakinidine D represents the first metabolite in the pyrroloacridine family of compounds to be isolated from an ascidian.

  DOI：

  10.1021/np970312o

文献信息

• Plakinidine D, a New Pyrroloacridine Alkaloid from the Ascidian <i>Didemnum</i> <i>rubeum</i>
  作者：Paul W. Ford、Bradley S. Davidson

  DOI：10.1021/np970312o

  日期：1997.10.1

  Plakinidine D (4), a new pyrroloacridine metabolite, was isolated together with the known compound 3,5-diiodo-4-methoxyphenethylamine (5) from the ascidian Didemnum rubeum collected near the island of Rota, Northern Mariana Islands. Spectroscopic methods were used to determine the structure of plakinidine D, which was also confirmed through the formation and characterization of the derivatives N-acetylplakinidine D and 11-deoxyplakinidine D. Plakinidine D represents the first metabolite in the pyrroloacridine family of compounds to be isolated from an ascidian.