[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl] 4-methylbenzoate | 947699-23-2

• 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: [2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl] 4-methylbenzoate
• CAS: 947699-23-2
• 化学式: C₂₈H₃₆O₆
• 分子量: 468.59
• InChiKey: SADURYOHYPUEPN-UXDDZUJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 0.5h， 生成 [2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl] 4-methylbenzoate
  参考文献：
  名称：

  Synthesis of andrographolide derivatives and their TNF-α and IL-6 expression inhibitory activities

  摘要：

  The synthesis of a series of andrographolide derivatives was described and their inhibitory effects on TNF-alpha and IL-6 secretion in mouse macrophages were also evaluated. Most of the tested compounds showed inhibitory effects, and the compounds with the structure of 12-hydroxy-14-dehydroandrographolide showed better inhibitory activity than the compounds with the structure of isoandrographolide. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.009

文献信息

• Synthesis of andrographolide derivatives and their TNF-α and IL-6 expression inhibitory activities
  作者：Jing Li、Wenlong Huang、Huibin Zhang、Xinyang Wang、Huiping Zhou

  DOI：10.1016/j.bmcl.2007.10.009

  日期：2007.12

  The synthesis of a series of andrographolide derivatives was described and their inhibitory effects on TNF-alpha and IL-6 secretion in mouse macrophages were also evaluated. Most of the tested compounds showed inhibitory effects, and the compounds with the structure of 12-hydroxy-14-dehydroandrographolide showed better inhibitory activity than the compounds with the structure of isoandrographolide. (c) 2007 Elsevier Ltd. All rights reserved.