6(E),12(E)-tetradecadiene-8,10-diyne-1,3-diol | 120166-71-4

• 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: 6(E),12(E)-tetradecadiene-8,10-diyne-1,3-diol
• 英文别名: (6E,12E)-6,12-tetradecadiene-8,10-diyne-1,3-diol；(6E,12E)-tetradeca-6,12-diene-8,10-diyne-1,3-diol；(6e,12e)-Tetradecadiene-8,10-diyne-1,3-diol；(6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3-diol
• CAS: 120166-71-4
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: XWNRAKHEEHWEDC-VHYPUYLQSA-N

物化性质

• 沸点：
  411.7±45.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-diacetoxy-tetradeca-6E,12E-diene-8,10-diyne 在 甲醇 、 potassium carbonate 作用下， 反应 0.17h， 以8 mg的产率得到6(E),12(E)-tetradecadiene-8,10-diyne-1,3-diol
  参考文献：
  名称：

  Antibacterial Activity of Phytochemicals Isolated from Atractylodes japonica against Methicillin-Resistant Staphylococcus aureus

  摘要：

  Methicillin-resistant Staphylococcus aureus (MRSA) has been emerging worldwide as one of the most important problems in communities and hospitals. Therefore, new agents are needed to treat acute oral infections from MRSA. In this study, antibacterial compounds from the roots of Atractylodes japonica (A. japonica) were isolated and characterized. The compounds were isolated from the root extracts using HPLC-piloted activity-guided fractionations. Four A. japonica compounds were isolated and identified as atractylenolide III (1), atractylenolide I (2), diacetylatractylodiol [(6E,12E)-tetradeca-6,12-diene-8,10-diyne-1,3-diol diacetate, TDEYA, 3). and (6E,12E)-tetradecadiene-8,10-diyne-1,3-diol (TDEA, 4), which was obtained by hydrolysis of TDEYA. The minimum inhibitory concentrations (MICs) was determined in the setting of clinical MRSA isolates. Compound 4 showed anti-MRSA activity with a MIC value of 4-32 μg/mL. The overall results provide promising baseline information for the potential use of the extract of A. japonica as well as some of the isolated compounds in the treatment of bacterial infections.

  DOI：

  10.3390/molecules15107395

文献信息

• Kano, Yoshihiro; Komatsu, Ken-ichi; Saito, Ken-ichi, Chemical and pharmaceutical bulletin, <hi>1989</hi>, vol. 37, # 1, p. 193 - 194
  作者：Kano, Yoshihiro、Komatsu, Ken-ichi、Saito, Ken-ichi、Bando, Hideo、Sakurai, Tetsuro

  DOI：——

  日期：——