aristoyunnolin E | 1429767-76-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: aristoyunnolin E
• 英文别名: (1E,3S,5E,9E)-3-hydroxy-5,9-dimethylcyclododeca-1,5,9-triene-1-carbaldehyde
• CAS: 1429767-76-9
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: ZHBYOYWMNXDEEV-YTAFXVJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  aristoyunnolin E 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 生成 [(1S,2E,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Extracellular Signal-Regulated Kinases (ERK) Inhibitors from Aristolochia yunnanensis

  摘要：

  Six new sesquiterpenoids, aristoyunnolins A-F (1-6), an artifact of isolation [7-O -ethyl madolin W (7)], and 12 known analogues were isolated from stems of Aristolochia yunnanensis. The structures were determined by combined chemical and spectral methods, and the absolute configurations of compounds 2, 3, 5-7, 9, 14, and 17 were determined by the modified Mosher's method and CD analysis. Compounds 1-19 were screened using a bioassay system designed to evaluate the effect on mitogen-activated protein kinases (MAPICs) signaling pathways. Among three MAPKs (ERK1/2, JNK, and p38), compounds 1, 4, 10-13, 16, 18, and 19 exhibited selective inhibition of the phosphorylation of ERK1/2. Compounds 16 and 19 were more active than the positive control PD98059, a known inhibitor of the ERK1/2 signaling pathway.

  DOI：

  10.1021/np300887d