isokaerophyllin | 126574-52-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 呋喃类木脂素
• 英文名称: isokaerophyllin
• 英文别名: (3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
• CAS: 126574-52-5
• 化学式: C₂₁H₂₀O₆
• 分子量: 368.386
• InChiKey: CSKOHFAJPKLSBP-CRNMQVKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  isokaerophyllin 在 盐酸 、 palladium on activated charcoal 氢气 作用下， 以 氯仿 、 苯 为溶剂， 反应 87.0h， 生成 (3R-反式)-4-(1,3-苯并二氧戊环-5-基甲基)-3-((3,4-二甲氧基苯基)甲基)二氢-2(3H)-呋喃酮
  参考文献：
  名称：

  Isokaerophyllin，来自柴胡的丁内酯

  摘要：

  摘要 从柴胡叶中分离得到两种苄叉-苄基-γ-丁内酯型木脂素。一种被鉴定为岩藻素，另一种被鉴定为顺式异构体，迄今未见报道。通过光谱化学方法和对其衍生物的研究，后者被表征为 2(3,4-二甲氧基)-苯亚甲基-3-(3,4-二氧甲基)-苯基甲基-3 S-γ-丁内酯。

  DOI：

  10.1016/0031-9422(90)85146-7
• 作为产物：
  描述：

  Guamarol 以 乙醚 、 丙酮 为溶剂， 反应 68.0h， 生成 isokaerophyllin
  参考文献：
  名称：

  柴胡木脂素内酯

  摘要：

  摘要 基于化学和光谱证据，从柴胡根中分离出的三种新木脂素分别为guamarol、isoguamarol和guamarolin。还获得了已知的木脂素、Kaerophyllin、isokaerophyllin 和 matairesinol。

  DOI：

  10.1016/0031-9422(92)83643-d

文献信息

• Gamma-butyrolactone compound and pharmaceutical composition thereof
  申请人：Lin Shinn-Zong

  公开号：US20100028461A1

  公开（公告）日：2010-02-04

  A γ-butyrolactone compound as shown in Formula (I) and pharmaceutical composition thereof: wherein X═N, O, S, Se; and A and B are selected from substituents having the following formula: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are selected from a hydrogen atom, a halogen atom, a hydroxyl group, a mercapto group, an amino group, an alkoxy group, and a nitro group. The γ-butyrolactone compound and pharmaceutical composition thereof butyrolactone have inhibitory effects on hepatoma, ovarian cancer, breast cancer, lung cancer, malignant glioblastoma or colorectal carcinoma, and are cytotoxic with high specificity to inhibit Paclitaxel-resistant tumour cells at later stage of chemotherapy without any damage on normal cells.
• PHARMACEUTICAL COMPOSITION WITH IMMUNOMODULATING FUNCTION
  申请人：Shih Ying-Chu

  公开号：US20120003250A1

  公开（公告）日：2012-01-05

  A pharmaceutical composition with an immunomodulating function is provided, including an extract of Bupleurum obtained by grinding the Bupleurum , adding the ground Bupleurum to a solvent and isolating the extract from the solvent, wherein the Bupleurum comprises Bupleurum krlovianum, Bupleurum longiradiatum, Bupleurum smithii, Bupleurum pusillum, Bupleurum longicaule, Bupleurum salicifolium, Bupleurum scorzonerifolium and Bupleurums with at least one of the nucleotide sequences selected from a group consisting of SEQ ID NOs. 1˜6 and a nucleotide sequence with no more than 1% of the nucleotide sequence divergences of SEQ ID NOs. 1˜6, or combinations thereof.
• US7348032B2
  申请人：——

  公开号：US7348032B2

  公开（公告）日：2008-03-25
• US7902255B2
  申请人：——

  公开号：US7902255B2

  公开（公告）日：2011-03-08
• Lignanolides from bupleurum salicifolium
  作者：R. Estévez-Reyes、A. Estévez-Braun、Antonio G. Gonzalez

  DOI：10.1016/0031-9422(92)83643-d

  日期：1992.8

  Abstract Three new lignans isolated from the roots of Bupleurum salicifolium were characterised as guamarol, isoguamarol and guamarolin on the basis of chemical and spectral evidence. The known lignans, kaerophyllin, isokaerophyllin and matairesinol, were also obtained.

  摘要 基于化学和光谱证据，从柴胡根中分离出的三种新木脂素分别为guamarol、isoguamarol和guamarolin。还获得了已知的木脂素、Kaerophyllin、isokaerophyllin 和 matairesinol。