alismol | 257297-31-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: alismol
• 英文别名: guaia-6,10(14)-dien-4β-ol；(1S,3aR,8aS)-7-isopropyl-1-methyl-4-methylene-2,3,3a,5,6,8a-hexahydroazulen-1-ol；(1S,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
• CAS: 257297-31-7
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: BUPJOLXWQXEJSQ-KKUMJFAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  alismol 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 6β,7β,10,11-guaiane
  参考文献：
  名称：

  Rao, M. Rama; Sridevi, K. V.; Venkatesham, U., Journal of Chemical Research, Synopses, 2000, # 5, p. 245 - 247

  摘要：

  DOI：
• 作为产物：
  描述：

  (1E,3E,7E)-4-Isopropyl-1,7-dimethyl-1,3,7-cyclodecatriene 反应 120.0h， 以98 mg的产率得到alismol
  参考文献：
  名称：

  Kitagawa, Isao; Kobayashi, Motomasa; Cui, Zheng, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 11, p. 4590 - 4596

  摘要：

  DOI：

文献信息

• Crude Drugs from Aquatic Plants. IV. On the Constituents of Alismatis Rhizoma. (2). Stereostructures of Bioactive Sesquiterpenes, Alismol, Alismoxide, Orientalols A, B, and C, from Chinese Alismatis Rhizoma.
  作者：Masayuki YOSHIKAWA、Shoko YAMAGUCHI、Hisashi MATSUDA、Yuko KOHDA、Hifumi ISHIKAWA、Nobumitsu TANAKA、Johji YAMAHARA、Nobutoshi MURAKAMI

  DOI：10.1248/cpb.42.1813

  日期：——

  Following the characterization of the triterpene constituents in Chinese Alismatis Rhizoma, we investigated the chemical structures of orientalols A, B, and C, isolated from the less polar fraction of the crude drug together with two known sesquiterpenes, alismol and alismoxide. On the basis of the chemical and physicochemical evidence, the structures of orientalols A, B, and C have been determined and those of alismol and alismoxide were revised.All five sesquiterpenes were found to show an inhibitory effect on the contraction of isolated bladder smooth muscle induced by carbachol.

  在对中药黄精中的三萜类成分进行表征之后，我们研究了从粗药极性较低的部分中分离出的东方酚 A、B 和 C 以及两种已知倍半萜--烯丙基酚和烯丙基氧化物--的化学结构。在化学和理化证据的基础上，确定了东方酚 A、B 和 C 的结构，并修正了 alismol 和 alismoxide 的结构。研究发现，所有五种倍半萜都对卡巴胆碱诱导的离体膀胱平滑肌收缩有抑制作用。
• Guaiane-type sesquiterpenoids from Alisma orientalis
  作者：Guo-Ping Peng、Gang Tian、Xian-Feng Huang、Feng-Chang Lou

  DOI：10.1016/s0031-9422(03)00222-x

  日期：2003.8

  Two guaiane-type sesquiterpenoids named orientalol E (1) and orientalol F (3) were isolated from the rhizome of Alisina orientalis (SAM) JUZEP together with two known guaiane-type sesquiterpenoids alismol (2) and alismoxide (4). Their relative stereo-structures were elucidated by spectroscopic methods, whereas absolute stereostructures were determined on the basis of chemical correlation. (C) 2003 Elsevier Ltd. All rights reserved.
• Kitagawa, Isao; Kobayashi, Motomasa; Cui, Zheng, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 11, p. 4590 - 4596
  作者：Kitagawa, Isao、Kobayashi, Motomasa、Cui, Zheng、Kiyota, Yutaka、Ohnishi, Mayumi

  DOI：——

  日期：——
• Rao, M. Rama; Sridevi, K. V.; Venkatesham, U., Journal of Chemical Research, Synopses, 2000, # 5, p. 245 - 247
  作者：Rao, M. Rama、Sridevi, K. V.、Venkatesham, U.、Rao, T. Prabhaker、Lee, S. S.、Venkateswarlu, Y.

  DOI：——

  日期：——