2-[4-Hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-8,8-dimethyl-2,3-dihydro-8H-pyrano[2,3-f]chromen-4-one | 157414-03-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-[4-Hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-8,8-dimethyl-2,3-dihydro-8H-pyrano[2,3-f]chromen-4-one
• 英文别名: (S)-2-(4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4(8H)-one；2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
• CAS: 157414-03-4
• 化学式: C₂₅H₂₆O₄
• 分子量: 390.479
• InChiKey: NEIURIYDQMKXIG-UHFFFAOYSA-N

物化性质

• 沸点：
  582.9±50.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)
• 保留指数：
  3328.9

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-methoxymethoxy-3-prenylbenzaldehyde 在 盐酸 、 氢氧化钾 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 0.17h， 生成 2-[4-Hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-8,8-dimethyl-2,3-dihydro-8H-pyrano[2,3-f]chromen-4-one
  参考文献：
  名称：

  Syntheses of (±)-shinflavanone and its structural analogues as potent inhibitors of bone resorption pits formation

  摘要：

  The first total syntheses of (+/-)-shinflavanone and its structural analogues were achieved. (+/-)Shinflavanone, appears to be a strong inhibitor of bone resorption pits formation by osteoclast-like cell induced by 1 alpha, 25-dihydroxy vitamine D-3 (IC50 = 0.70 mu g/mL) (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00212-7

文献信息

• Syntheses of (±)-shinflavanone and its structural analogues as potent inhibitors of bone resorption pits formation
  作者：Hongsuk Suh、Sungeun Lee、Namyoung Kim、Jaejin Han、Jongwoo Kim

  DOI：10.1016/s0960-894x(99)00212-7

  日期：1999.5

  The first total syntheses of (+/-)-shinflavanone and its structural analogues were achieved. (+/-)Shinflavanone, appears to be a strong inhibitor of bone resorption pits formation by osteoclast-like cell induced by 1 alpha, 25-dihydroxy vitamine D-3 (IC50 = 0.70 mu g/mL) (C) 1999 Elsevier Science Ltd. All rights reserved.