astrophthalide | 1579273-29-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: astrophthalide
• 英文别名: Astrophthalide；methyl (3R)-7-hydroxy-3-[(1R)-1-hydroxyethyl]-1-oxo-3H-2-benzofuran-4-carboxylate
• CAS: 1579273-29-2
• 化学式: C₁₂H₁₂O₆
• 分子量: 252.224
• InChiKey: BKNNTSDIJDLCKH-FWOIEVBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  astrophthalide 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以3.2mg的产率得到
  参考文献：
  名称：

  Bioactive polyketides from the fungus Astrocystis sp. BCC 22166

  摘要：

  Five new compounds, phthalide 1, dihydroisocoumarin 2, and 3, pyrone 4, and benzophenone 5, together with nine known compounds, 3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin, sclerotinin A, methyl-8-hydroxy-6-methylxanthone-1-carboxylate, sydowinin A, conioxanthone A, 1,3,8-trihydroxy-6-methylxanthone, 1,8-dihydroxy-3-methoxy-6-methylxanthone, coniochaetone B, and xylaranol B, were isolated from the fungus Astrocystis sp. BCC 22166. Structures of these compounds were elucidated using NMR spectroscopic and MS spectrometric analyses. Compound I exhibited antibacterial activity against Bacillus cereus (IC50=12.5 mu g/mL) while compound 2 showed cytotoxicity to KB and Vero cells (IC50=22.6 and 48.2 mu g/mL). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.004

文献信息

• Bioactive polyketides from the fungus Astrocystis sp. BCC 22166
  作者：Jittra Kornsakulkarn、Siriporn Saepua、Somjit Komwijit、Pranee Rachtawee、Chawanee Thongpanchang

  DOI：10.1016/j.tet.2014.02.004

  日期：2014.3

  Five new compounds, phthalide 1, dihydroisocoumarin 2, and 3, pyrone 4, and benzophenone 5, together with nine known compounds, 3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin, sclerotinin A, methyl-8-hydroxy-6-methylxanthone-1-carboxylate, sydowinin A, conioxanthone A, 1,3,8-trihydroxy-6-methylxanthone, 1,8-dihydroxy-3-methoxy-6-methylxanthone, coniochaetone B, and xylaranol B, were isolated from the fungus Astrocystis sp. BCC 22166. Structures of these compounds were elucidated using NMR spectroscopic and MS spectrometric analyses. Compound I exhibited antibacterial activity against Bacillus cereus (IC50=12.5 mu g/mL) while compound 2 showed cytotoxicity to KB and Vero cells (IC50=22.6 and 48.2 mu g/mL). (C) 2014 Elsevier Ltd. All rights reserved.