[4,6-Bis-benzyloxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-trihydroxy-phenyl)-methanone | 622390-65-2

• 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: [4,6-Bis-benzyloxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-trihydroxy-phenyl)-methanone
• CAS: 622390-65-2
• 化学式: C₃₃H₃₂O₇
• 分子量: 540.613
• InChiKey: CLWPFHFBKDGRDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.71
• 重原子数：
  40.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  105.45
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [4,6-Bis-benzyloxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-trihydroxy-phenyl)-methanone 在 palladium on activated charcoal 、 环己烯 作用下， 以 乙醇 为溶剂， 以97%的产率得到[4,6-Dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-(2,4,6-trihydroxyphenyl)methanone
  参考文献：
  名称：

  Biological activities of α-mangostin derivatives against acidic sphingomyelinase

  摘要：

  Deprenyl and benzofenone-type congeners of alpha-mangostin 1 have been synthesized to understand their role for the inhibitory activity against sphingomyelinase (SMase). While removal of the prenyl group of the right side (11 and 12) caused loss of the selectivity between ASMase (acidic sphingomyelinase) and NSMase (neutral sphingomyelinase), the prenyl group of the left side appeared to increase the inhibitory activities (16 and 17). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00719-4
• 作为产物：
  描述：

  [4,6-Bis-benzyloxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-tris-methoxymethoxy-phenyl)-methanone 在 camphor-10-sulfonic acid 作用下， 以 甲醇 为溶剂， 以81%的产率得到[4,6-Bis-benzyloxy-3-methoxy-2-(3-methyl-but-2-enyl)-phenyl]-(2,4,6-trihydroxy-phenyl)-methanone
  参考文献：
  名称：

  Biological activities of α-mangostin derivatives against acidic sphingomyelinase

  摘要：

  Deprenyl and benzofenone-type congeners of alpha-mangostin 1 have been synthesized to understand their role for the inhibitory activity against sphingomyelinase (SMase). While removal of the prenyl group of the right side (11 and 12) caused loss of the selectivity between ASMase (acidic sphingomyelinase) and NSMase (neutral sphingomyelinase), the prenyl group of the left side appeared to increase the inhibitory activities (16 and 17). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00719-4