acerogenin K | 150107-14-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: acerogenin K
• 英文别名: Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,17-triol；tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
• CAS: 150107-14-5
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: OUMFOFAOVINTGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  acerogenin K 在 环己酮 、 aluminum isopropoxide 作用下， 以2 mg的产率得到acerogenin E
  参考文献：
  名称：

  Studies on the Constituents of Aceraceae Plants. XIII. Diarylheptanoids and Other Phenolics from Acer nikoense.

  摘要：

  从槭树（Acer nikoense MAXIM.）的树皮和树枝混合物中，新分离出9种化合物（1-9）。化合物1与槭树素E相同，化合物8和9是β-orcinol衍生物。槭树素K（2）是一种新的环状二苯基型二芳基庚烷，在氧化后生成槭树素E。槭树素F（3）至L（7）是新的环状二苯醚型二芳基庚烷，其骨架和二苯醚部分的取代基与槭树素A相同。它们的结构是根据化学和光谱证据阐明的。

  DOI：

  10.1248/cpb.44.1086
• 作为产物：
  描述：

  4-甲氧基苯甲酸甲酯 在 四氢吡咯 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 草酰氯 、 palladium 10% on activated carbon 、 氢气 、 碘 、 potassium acetate 、 silver trifluoroacetate 、 三溴化硼 、 溶剂黄146 、 硫酸二甲酯 、 联硼酸频那醇酯 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 氯仿 、 二甲基亚砜 为溶剂， 反应 47.25h， 生成 acerogenin K
  参考文献：
  名称：

  Total synthesis of acerogenins E, G and K, and centrolobol

  摘要：

  The first total synthesis of the diaiylheptanoid acerogenins E and K, isolated from Acer nikoense MAXIM., is described. Formation of the 13-membered m,m-cyclophane skeleton was successfully achieved on the basis of a domino process involving a Miyaura arylborylation intramolecular Suzuki reaction. The cyclization precursor was prepared via a Wittig reaction and Claisen Schmidt condensation, which proceeded in moderate yields. The total synthesis of acerogenin G and centrolobol was also achieved from a common synthetic intermediate. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.065

文献信息

• PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF BONE DISEASE, FUNCTIONAL FOOD OR HEALTH FOOD COMPRISING THE COMPOSITION, AND PHARMACEUTICAL PREPARATION COMPRISING THE COMPOSITION AS ACTIVE INGREDIENT
  申请人：Akihisa, Toshihiro

  公开号：EP2050442A1

  公开（公告）日：2009-04-22

  The present invention provides a highly safe pharmaceutical composition for preventing and/or treating bone disease, a pharmaceutical preparation comprising thereof, a health food comprising thereof, a functional food comprising thereof. Since the present invention comprises the arylheptanoid compound shown in the following formula (I) and the derivatives thereof, it enables to prevent and/or treat the bone disease. (In the formula (I), R1 and R5 are a functional group selected from the group consisting of a hydrogen atom, alkyl group having carbon numbers 1 to 3, monosaccharide and disaccharide; R2, R3, and R4 are a functional group selected from the group consisting of a hydrogen atom, an oxygen atom, alkyl group having carbon numbers 1 to 3, monosaccharide and disaccharide; R5 may be bound on meta-position against heptylene group of another aryl group to form a ring.)

  本发明提供了一种用于预防和/或治疗骨病的高安全性药物组合物、由其组成的药物制剂、由其组成的保健食品、由其组成的功能性食品。由于本发明包含下式（I）所示的芳基庚烷类化合物及其衍生物，因此能够预防和/或治疗骨病。 (在式(I)中，R1和R5是选自氢原子、碳原子数为1至3的烷基、单糖和二糖的官能团；R2、R3和R4是选自氢原子、氧原子、碳原子数为1至3的烷基、单糖和二糖的官能团；R5可与另一芳基的庚基在元位置上结合形成环)。
• Pharmaceutical composition for prevention and/or treatment of bone disease, functional food or health food comprising the composition, and pharmaceutical preparation comprising the composition as active ingredient
  申请人：Akihisa, Toshihiro

  公开号：EP2407160B1

  公开（公告）日：2016-07-27
• PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING BONE DISEASE, FUNCTIONAL FOOD OR HEALTH FOOD AND PHARMACEUTICAL PREPARATION COMPRISING THEREOF AS ACTIVE INGREDIENT
  申请人：Woo Je-Tae

  公开号：US20090227527A1

  公开（公告）日：2009-09-10

  The present invention provides a highly safe pharmaceutical composition for preventing and/or treating bone disease, a pharmaceutical preparation comprising thereof, a health food comprising thereof, a functional food comprising thereof. Since the present invention comprises the arylheptanoid compound shown in the following formula (I) and the derivatives thereof, it enables to prevent and/or treat the bone disease. (In the formula (I), R 1 and R 5 are a functional group selected from the group consisting of a hydrogen atom, alkyl group having carbon numbers 1 to 3, monosaccharide and disaccharide; R 2 , R 3 , and R 4 are a functional group selected from the group consisting of a hydrogen atom, an oxygen atom, alkyl group having carbon numbers 1 to 3, monosaccharide and disaccharide; R 5 may be bound on meta-position against heptylene group of another aryl group to form a ring.)
• US8822705B2
  申请人：——

  公开号：US8822705B2

  公开（公告）日：2014-09-02