2-[4-[2-[3-[[4,6-Bis(carboxymethoxy)-3-[2-[4-(carboxymethoxy)phenyl]acetyl]-2-hydroxyphenyl]methyl]-4,6-bis(carboxymethoxy)-2-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid | 1021922-83-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4-[2-[3-[[4,6-Bis(carboxymethoxy)-3-[2-[4-(carboxymethoxy)phenyl]acetyl]-2-hydroxyphenyl]methyl]-4,6-bis(carboxymethoxy)-2-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid
• CAS: 1021922-83-7
• 化学式: C₄₁H₃₆O₂₂
• 分子量: 880.724
• InChiKey: UGZQNZYSYVUAIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  63
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  354
• 氢给体数：
  8
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2-[4-[2-[2,4-Bis(carboxymethoxy)-6-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以70%的产率得到2-[4-[2-[3-[[4,6-Bis(carboxymethoxy)-3-[2-[4-(carboxymethoxy)phenyl]acetyl]-2-hydroxyphenyl]methyl]-4,6-bis(carboxymethoxy)-2-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid
  参考文献：
  名称：

  Synthesis, crystal structure and antimicrobial activity of deoxybenzoin derivatives from genistein

  摘要：

  A series of deoxybenzoin derivatives from genistein were synthesized and their structures were elucidated by H-1 NMR, mass spectral data and micro analyses. The structures of 2, 7 and 10 were determined by single-crystal X-ray analysis. These obtained compounds were evaluated for their assayed antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium. bromide) method. Most compounds have displayed comparable antibacterial activity against bacterial. On the basis of the biological results, structure-activity relationships are discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.013

文献信息

• Synthesis, crystal structure and antimicrobial activity of deoxybenzoin derivatives from genistein
  作者：Huan-Qiu Li、Jia-Yu Xue、Lei Shi、Shan-Ying Gui、Hai-Liang Zhu

  DOI：10.1016/j.ejmech.2007.05.013

  日期：2008.3

  A series of deoxybenzoin derivatives from genistein were synthesized and their structures were elucidated by H-1 NMR, mass spectral data and micro analyses. The structures of 2, 7 and 10 were determined by single-crystal X-ray analysis. These obtained compounds were evaluated for their assayed antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium. bromide) method. Most compounds have displayed comparable antibacterial activity against bacterial. On the basis of the biological results, structure-activity relationships are discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.