(2,4,6-trihydroxyphenyl) (2,6-dimethylheptyl) ketone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2,4,6-trihydroxyphenyl) (2,6-dimethylheptyl) ketone
• 英文别名: (2,4,6-trihydroxyphenyl)-(2,6-dimethylheptyl)-ketone；3,7-Dimethyloctanoyl-phloroglucin；(2,6-Dimethylheptyl) (2,4,6-trihydroxyphenyl) ketone；3,7-dimethyl-1-(2,4,6-trihydroxyphenyl)octan-1-one
• 化学式: C₁₆H₂₄O₄
• 分子量: 280.364
• InChiKey: FRROKYIFKYUHFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯三酚 、 (+/-)-Dihydrocitronellic acid chloride 在 三氯化铝 作用下， 以 硝基苯 为溶剂， 生成 (2,4,6-trihydroxyphenyl) (2,6-dimethylheptyl) ketone
  参考文献：
  名称：

  Studies on the Constituents of Lespedeza homoloba NAKAI. I. The Structure of Lespedeol A

  摘要：

  从胡枝子 (Lespedezahomoloba NAKAI) 的树皮中分离得到一种新的异黄烷酮衍生物，命名为胡枝子醇 A。通过光谱和化学数据推测该结构为2',4',5,7-四羟基-6-香叶基异黄烷酮，并通过2',4',7-三甲氧基-5-羟基-的合成证实了这一推测。 6-四氢香叶基异黄酮，源自胡枝子醇 A。

  DOI：

  10.1248/cpb.21.1734

文献信息

• Polyhydroxyphenol derivatives and preventive and therapeutic agents for bone and cartilage diseases containing the same
  申请人：Hoechst Marion Roussel

  公开号：US06177474B1

  公开（公告）日：2001-01-23

  Compounds useful as preventive and therapeutic agents for bone and cartilage diseases; and drug compositions containing the same. The compounds are polyhydroxyphenol derivatives of general formula (I) and quinione analogues derived therefrom (wherein R1 is alkyl, optionally substituted benzyl or optionally substituted aryl; R2 is hydrogen, alkyl, alkenyl or optionally substituted benzyl; R3 is hydrogen, alkyl, alkenyl, optionally substituted benzyl, hydroxyl, alkoxy, alkenyloxy or optionally substituted benzyloxy; R4 is hydrogen, alkyl, alkenyl, optionally substituted benzyl or hydroxyl; and R5 and R6 are each independently hydrogen, alkyl, alkenyl or optionally substituted benzyl). The polyhydroxyphenol derivatives and the quinone analogues exhibit a potent inhibitory activity against bone resorption and are useful as preventive and therapeutic agents for bone and cartilage diseases.

  具有预防和治疗骨骼和软骨疾病作用的化合物；以及含有这些化合物的药物组合物。这些化合物是通式(I)的多羟基酚衍生物和由此衍生的醌类似物（其中R1是烷基、可选择取代的苄基或可选择取代的芳基；R2是氢、烷基、烯烃基或可选择取代的苄基；R3是氢、烷基、烯烃基、可选择取代的苄基、羟基、烷氧基、烯烯氧基或可选择取代的苄氧基；R4是氢、烷基、烯烃基、可选择取代的苄基或羟基；而R5和R6各自独立地是氢、烷基、烯烃基或可选择取代的苄基）。这些多羟基酚衍生物和醌类似物表现出强大的抑制骨吸收活性，并且可用作预防和治疗骨骼和软骨疾病的药物。
• JPH09301916A
  申请人：——

  公开号：JPH09301916A

  公开（公告）日：1997-11-25
• Studies on the Constituents of Lespedeza homoloba NAKAI. I. The Structure of Lespedeol A
  作者：AKIRA UENO、MASAHIRO ICHIKAWA、TOSHIO MIYASE、SEIGO FUKUSHIMA、YASUHISA SAIKI、KUNIO MORINAGA

  DOI：10.1248/cpb.21.1734

  日期：——

  A new isoflavanone derivative named lespedeol A was isolated from the bark of Lespedeza homoloba NAKAI. The structure was presumed to be 2', 4', 5, 7-tetrahydroxy-6-geranylisoflavanone by spectral and chemical data, and this presumption was confirmed by the synthesis of 2', 4', 7-trimethoxy-5-hydroxy-6-tetrahydrogeranylisoflavone derived from lespedeol A.

  从胡枝子 (Lespedezahomoloba NAKAI) 的树皮中分离得到一种新的异黄烷酮衍生物，命名为胡枝子醇 A。通过光谱和化学数据推测该结构为2',4',5,7-四羟基-6-香叶基异黄烷酮，并通过2',4',7-三甲氧基-5-羟基-的合成证实了这一推测。 6-四氢香叶基异黄酮，源自胡枝子醇 A。