xanthoquinodin A4 | 1431312-22-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: xanthoquinodin A4
• CAS: 1431312-22-9
• 化学式: C₃₁H₂₆O₁₁
• 分子量: 574.541
• InChiKey: JMZPXGXJYPIIPS-QUIWDRBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  42.0
• 可旋转键数：
  2.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  176.89
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 xanthoquinodin A4 反应 336.0h， 生成 xanthoquinodin A5
  参考文献：
  名称：

  Xanthoquinodins from the Endolichenic Fungal Strain Chaetomium elatum

  摘要：

  Five new xanthoquinodins, A4-A6 (1-3), B4 (4), and B5 (5), were isolated from the crude extract of the endolichenic fungal strain Chaetomium elatum (No. 63-10-3-1), along with three known xanthoquinodins, A1-A3 (6-8). Their structures were determined by detailed spectroscopic analysis and comparison of the NMR data with those of the closely related compounds previously reported. The absolute configuration of 1 was established by X-ray crystallographic analysis and ECD calculation. The cytotoxic activity of all compounds was tested against HL-60, SMMC-7721, A-549, MCF-7, and SW480 human cancer cell lines.

  DOI：

  10.1021/np400041y
• 作为产物：
  描述：

  xanthoquinodin A5 以 氘代氯仿 为溶剂， 反应 336.0h， 生成 xanthoquinodin A4
  参考文献：
  名称：

  Xanthoquinodins from the Endolichenic Fungal Strain Chaetomium elatum

  摘要：

  Five new xanthoquinodins, A4-A6 (1-3), B4 (4), and B5 (5), were isolated from the crude extract of the endolichenic fungal strain Chaetomium elatum (No. 63-10-3-1), along with three known xanthoquinodins, A1-A3 (6-8). Their structures were determined by detailed spectroscopic analysis and comparison of the NMR data with those of the closely related compounds previously reported. The absolute configuration of 1 was established by X-ray crystallographic analysis and ECD calculation. The cytotoxic activity of all compounds was tested against HL-60, SMMC-7721, A-549, MCF-7, and SW480 human cancer cell lines.

  DOI：

  10.1021/np400041y

文献信息

• Xanthoquinodins from the Endolichenic Fungal Strain <i>Chaetomium elatum</i>
  作者：Guo-Dong Chen、Ying Chen、Hao Gao、Li-Qing Shen、Yang Wu、Xiao-Xia Li、Yan Li、Liang-Dong Guo、Ying-Zhou Cen、Xin-Sheng Yao

  DOI：10.1021/np400041y

  日期：2013.4.26

  Five new xanthoquinodins, A4-A6 (1-3), B4 (4), and B5 (5), were isolated from the crude extract of the endolichenic fungal strain Chaetomium elatum (No. 63-10-3-1), along with three known xanthoquinodins, A1-A3 (6-8). Their structures were determined by detailed spectroscopic analysis and comparison of the NMR data with those of the closely related compounds previously reported. The absolute configuration of 1 was established by X-ray crystallographic analysis and ECD calculation. The cytotoxic activity of all compounds was tested against HL-60, SMMC-7721, A-549, MCF-7, and SW480 human cancer cell lines.