methyl (1S,4S,8R,10S,11E,14S)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate

• 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: methyl (1S,4S,8R,10S,11E,14S)-11-[(4-hydroxy-3-methoxyphenyl)methylidene]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
• 化学式: C₂₁H₁₈O₈
• 分子量: 398.4
• InChiKey: TXGZCLZZWWAVDP-JAMKAFKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• NOVEL COMPOUNDS HAVING A TETRACYCLIC IRIDOID SKELTON AND AN ANTI-TRYPANOSOMAL AGENT COMPRISING THE SAME AS AN ACTIVE INGREDIENT
  申请人：YAMAOKA Shoji

  公开号：US20150191484A1

  公开（公告）日：2015-07-09

  The present invention provides anti-trypanosomal agent for treating, preventing Trypanosomiasis of mammals, which comprises a compound having the tetracyclic iridoid skeleton represented by a general formula (I).
• [EN] NOVEL COMPOUNDS HAVING A TETRACYCLIC IRIDOID SKELETON AND AN ANTI-TRYPANOSOMAL, ANTI-LEISHMANIAL AND ANTI-PLASMODIAL AGENTS COMPRISING THE SAME AS AN ACTIVE INGREDIENT<br/>[FR] NOUVEAUX COMPOSÉS À CHAÎNE PRINCIPALE IRIDOÏDE TÉTRACYCLIQUE ET AGENTS ANTI-TRYPANOSOMA, ANT-LEISHAMNIA ET ANTI-PLASMODIUM COMPRENANT LESDITS COMPOSÉS EN TANT QUE PRINCIPE ACTIF
  申请人：NAT UNIV CORP TOKYO MED & DENT

  公开号：WO2015105198A1

  公开（公告）日：2015-07-16

  The present invention provides anti-trypanosomal, anti-leishmanial or anti-plastmodial agent for treating, preventing trypanosomiasis, leishmaniasis or malaria, respectively, of mammals, which comprises a compound having the tetracyclic iridoid skeleton represented by a general formula (I).