integracin D | 1220824-93-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: integracin D
• 英文别名: [(4S)-11-(3-hydroxy-5-sulfooxyphenyl)undecan-4-yl] 2-[(8S)-8-acetyloxyundecyl]-4,6-dihydroxybenzoate
• CAS: 1220824-93-0
• 化学式: C₃₇H₅₆O₁₁S
• 分子量: 708.911
• InChiKey: OHUSWAVBPOGHPI-LQJZCPKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  49
• 可旋转键数：
  27
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  185
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  甲醇 、 integracin D 在 盐酸 作用下， 以0.6 mg的产率得到(S)-5-(8-hydroxyundecyl)benzene-1,3-diol
  参考文献：
  名称：

  Phenolic compounds and their anti-oxidative properties and protein kinase inhibition from the Chinese mangrove plant Laguncularia racemosa

  摘要：

  Phenolic compounds, named integracin D (1). (7'R. 8'S, 8S)-8-hydroxyisoguaiacin (3). (2R, 3R) pinobanksin-3-caffeoylate (5) and threo-8S-7-methoxysyringylglycerol (6), respectively, were isolated from the Chinese mangrove plant Laguncularia racemosa (L) Gaertn. f (Combretaceae), together with 23 known phenolic metabolites Their structures were elucidated oil the basis of extensive spectroscopic analyses including that of IR, UV, MS, CD, 1D and 2D NMR spectra as well as by comparison with literature data Compound 5 showed significant anti-oxidative activity in the DPPH and TEAC free-radical-scavenging assays, while several of the phenolic compounds were tested for protein kinase inhibitory activity in an assay involving 24 different human tumor related protein kinases. Compounds 5, 7, and 23 showed potential inhibition with IC50 values between 2 2 and 3 6 mu g/mL toward individual kinases The ellagic acid derivatives were tested for insecticidal activity. (C) 2009 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.phytochem.2009.11.008