dendrodochol D | 1599455-11-4

• 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: dendrodochol D
• 英文别名: Dendrodochol D；(1R,3aS,4R,5S,6R,7aS)-1-[(1E,3E,5R)-5-hydroxyhexa-1,3-dienyl]-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-4,5,6-triol
• CAS: 1599455-11-4
• 化学式: C₁₄H₂₂O₅
• 分子量: 270.326
• InChiKey: KBKBJVZZIPXQCD-HGQLRBIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  90.2
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-(+)-alpha-甲氧基苯乙酸 、 dendrodochol D 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以30.2%的产率得到
  参考文献：
  名称：

  Polyhydroxy Cyclohexanols from a Dendrodochium sp. Fungus Associated with the Sea Cucumber Holothuria nobilis Selenka

  摘要：

  Four cyclohexanol analogues, dendrodochols A-D (1-4), were isolated from a Dendrodochium sp. fungus associated with the sea cucumber Holothuria nobilis Selenka collected from the South China Sea. The structures were elucidated by means of detailed spectroscopic analysis. The absolute configurations were assigned using a solution TDDFT/ECD calculation approach and the modified Mosher's method. In an in vitro bioassay, these compounds exhibited no growth inhibition activity against the A549 and MG63 cell lines. Dendrodochols 1 and 3 exhibited modest antifungal activity against Candida strains, Cryptococcus neoformans, and Trichophyton rubrum, whereas 2 and 4 showed no activity against the tested strains.

  DOI：

  10.1021/np500024r

文献信息

• Polyhydroxy Cyclohexanols from a <i>Dendrodochium</i> sp. Fungus Associated with the Sea Cucumber <i>Holothuria nobilis</i> Selenka
  作者：Dong-Xiao Xu、Peng Sun、Tibor Kurtán、Attila Mándi、Hua Tang、Baoshu Liu、William H. Gerwick、Zhi-Wei Wang、Wen Zhang

  DOI：10.1021/np500024r

  日期：2014.5.23

  Four cyclohexanol analogues, dendrodochols A-D (1-4), were isolated from a Dendrodochium sp. fungus associated with the sea cucumber Holothuria nobilis Selenka collected from the South China Sea. The structures were elucidated by means of detailed spectroscopic analysis. The absolute configurations were assigned using a solution TDDFT/ECD calculation approach and the modified Mosher's method. In an in vitro bioassay, these compounds exhibited no growth inhibition activity against the A549 and MG63 cell lines. Dendrodochols 1 and 3 exhibited modest antifungal activity against Candida strains, Cryptococcus neoformans, and Trichophyton rubrum, whereas 2 and 4 showed no activity against the tested strains.