peltatol B | 140872-95-3

• 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: peltatol B
• 英文别名: 3-[2-hydroxy-5-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenoxy]-5-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
• CAS: 140872-95-3
• 化学式: C₄₂H₅₈O₄
• 分子量: 626.92
• InChiKey: SRYUFQNDYPIUQF-NXQGAYFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  46
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  peltatol B 以 氘代甲醇 为溶剂， 反应 24.0h， 生成 peltatol C
  参考文献：
  名称：

  HIV inhibitory natural products. 6. The peltatols, novel HIV-inhibitory catechol derivatives from Pothomorphe peltata

  摘要：

  Three new prenylated catechol dimers have been isolated from the tropical shrub Pothomorphe peltata (Piperaceae). The structures of peltatol A (1), peltatol B (2), and peltatol C (3) were determined by extensive spectroscopic analyses. Peltatols A-C inhibited HIV-1 induced cell killing at subcytotoxic concentrations of 1-10-mu-g/mL. The monomeric catechol derivative 4-nerolidyleatechol (4) was active in a phorbol receptor binding assay (IC50 = 35-mu-g/mL) but inactive against HIV. The diphenyl ethers, peltatols B (2) and C (3), were interconvertible in solution (MeOH, DMSO) at room temperature.

  DOI：

  10.1021/jo00036a010
• 作为产物：
  描述：

  peltatol C 以 氘代甲醇 为溶剂， 反应 24.0h， 生成 peltatol B
  参考文献：
  名称：

  HIV inhibitory natural products. 6. The peltatols, novel HIV-inhibitory catechol derivatives from Pothomorphe peltata

  摘要：

  Three new prenylated catechol dimers have been isolated from the tropical shrub Pothomorphe peltata (Piperaceae). The structures of peltatol A (1), peltatol B (2), and peltatol C (3) were determined by extensive spectroscopic analyses. Peltatols A-C inhibited HIV-1 induced cell killing at subcytotoxic concentrations of 1-10-mu-g/mL. The monomeric catechol derivative 4-nerolidyleatechol (4) was active in a phorbol receptor binding assay (IC50 = 35-mu-g/mL) but inactive against HIV. The diphenyl ethers, peltatols B (2) and C (3), were interconvertible in solution (MeOH, DMSO) at room temperature.

  DOI：

  10.1021/jo00036a010