7-((3R,3aS,4S,5S,7R)-3,7-dihydroxy-8-oxo-4-((Z)-pent-2-en-1-yl)-2,3,4,5,7,8-hexahydro-1H-3a,7-methanooxocino[5,4-b]pyrrol-5-yl)-5-hydroxy-6-oxoheptanoic acid | 1036406-99-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 7-((3R,3aS,4S,5S,7R)-3,7-dihydroxy-8-oxo-4-((Z)-pent-2-en-1-yl)-2,3,4,5,7,8-hexahydro-1H-3a,7-methanooxocino[5,4-b]pyrrol-5-yl)-5-hydroxy-6-oxoheptanoic acid
• CAS: 1036406-99-1
• 化学式: C₂₂H₃₁NO₈
• 分子量: 437.49
• InChiKey: UHNCZVZGPIEUFP-MLPSSDRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.43
• 重原子数：
  31.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  153.39
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  (8Z,11Z)-5-hydroxy-6-oxotetradeca-8,11-dienoic acid 、 去甲肾上腺素 在 Tris-HCl buffer 、 氧气 作用下， 以 水 为溶剂， 反应 15.0h， 以9.0%的产率得到7-((3R,3aS,4S,5S,7R)-3,7-dihydroxy-8-oxo-4-((Z)-pent-2-en-1-yl)-2,3,4,5,7,8-hexahydro-1H-3a,7-methanooxocino[5,4-b]pyrrol-5-yl)-5-hydroxy-6-oxoheptanoic acid
  参考文献：
  名称：

  Structure–activity relationship study of flowering-inducer FN against Lemna paucicostata

  摘要：

  FN1 (1) and FN2 (2), cycloadducts of alpha-ketol octaclecadienoic acid (3) with norepinephrine (NE), induce flowering in Lemna paucicostata. In order to broaden our understanding of structural requirements of FN for flower induction, nine analogs of 3 (4-12) were synthesized and reacted with NE under basic conditions. These analogs, except for 8, 10, and 12, exhibited significant activity regarding to floral induction in L. paucicostata. Similar experiments were carried out by using 3 and epinephrine, and it was demonstrated that these products also possessed biological activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.115