2-(3,4-dihydroxyphenyl)ethyl cis-4,7,10,13,16,19-docosahexaenoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(3,4-dihydroxyphenyl)ethyl cis-4,7,10,13,16,19-docosahexaenoate
• 英文别名: 2-(3,4-dihydroxyphenyl) ethyl docosahexanoate；2-(3,4-dihydroxyphenyl)ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
• 化学式: C₃₀H₄₀O₄
• 分子量: 464.645
• InChiKey: ULBFAGCLXQKNFS-KUBAVDMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  羟基酪醇 、 (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-二十二碳六烯酸乙酯 在 Novozym 435 作用下， 以43%的产率得到2-(3,4-dihydroxyphenyl)ethyl cis-4,7,10,13,16,19-docosahexaenoate
  参考文献：
  名称：

  Efficient lipase-catalyzed synthesis of new lipid antioxidants based on a catechol structure

  摘要：

  Lipid antioxidants phenolic saturated fatty acid esters were synthesized in high yields and short reaction times using the corresponding ethyl fatty acid esters, lipase from Candida Antarctica, vacuum and no solvent. Phenolic esters with mono- and polyunsaturated fatty acids (EPA and DHA) were also prepared. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.100

文献信息

• HYDROXYTYROSOL AND OLEUROPEIN COMPOSITIONS FOR INDUCTION OF DNA DAMAGE, CELL DEATH AND LSD1 INHIBITION
  申请人：McCord Darlene E.

  公开号：US20150342903A1

  公开（公告）日：2015-12-03

  Compositions comprising hydroxytyrosol-containing formulations and treatment regiments comprising hydroxytyrosol and/or oleuropein and chemotherapeutic agents are disclosed. Compositions and/or regiments may optionally include the administration of vitamins, minerals, and anti-oxidants. Methods for using these compositions and treatment regimens for treating subjects for diseases, such as a malignancy, and for inducing or enhancing angiogenesis, treating or preventing oxidative stress, for treating or preventing high glucose-induced dysfunction, treating or preventing chemotherapy-induced dysfunction, and for improving cell viability are provided. Various methods for use of the hydroxytyrosol compositions for inhibition of lysine specific demethylase 1 (LSD1) in various cancers are also provided.
• US9662302B2
  申请人：——

  公开号：US9662302B2

  公开（公告）日：2017-05-30
• Efficient lipase-catalyzed synthesis of new lipid antioxidants based on a catechol structure
  作者：A. Torres de Pinedo、P. Peñalver、D. Rondón、J.C. Morales

  DOI：10.1016/j.tet.2005.05.100

  日期：2005.8

  Lipid antioxidants phenolic saturated fatty acid esters were synthesized in high yields and short reaction times using the corresponding ethyl fatty acid esters, lipase from Candida Antarctica, vacuum and no solvent. Phenolic esters with mono- and polyunsaturated fatty acids (EPA and DHA) were also prepared. (c) 2005 Elsevier Ltd. All rights reserved.