(3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-十氢-8alpha-(beta-D-吡喃葡萄糖基氧基)-3,6,9-三(亚甲基)薁并[4,5-b]呋喃-2(3H)-酮 | 57576-33-7

• 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
• 中文名称: (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-十氢-8alpha-(beta-D-吡喃葡萄糖基氧基)-3,6,9-三(亚甲基)薁并[4,5-b]呋喃-2(3H)-酮
• 英文名称: glucozaluzanin C
• 英文别名: 3β-(β-D-glucopyranosyloxy)-4(15),10(14),11(13)-guaiatrien-12,6-olide；3β-O-β-D-glucozaluzanin C；vernoflexuoside；glucozaluzanin；(3aS,6aR,8S,9aR,9bS)-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
• CAS: 57576-33-7
• 化学式: C₂₁H₂₈O₈
• 分子量: 408.449
• InChiKey: OIOLZODVFMMERF-GHSWTDDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-十氢-8alpha-(beta-D-吡喃葡萄糖基氧基)-3,6,9-三(亚甲基)薁并[4,5-b]呋喃-2(3H)-酮 在 cellulase 作用下， 以 乙醇 、 水 为溶剂， 反应 48.0h， 生成 中美菊素C
  参考文献：
  名称：

  13-Chloro-3-O-β-d-glucopyranosylsolstitialin from Leontodon palisae: the first genuine chlorinated sesquiterpene lactone glucoside

  摘要：

  Apart from a number of known sesquiterpenoids. a novel chlorinated sesquiterpene lactone glucoside-13-chloro-3-O-beta-D-glucopyranosylsolstitialin-has been isolated from the Southwestern European plant Leontodon palisae (Asteraceae, tribe Lactuceae). The structure has been established by high resolution mass spectrometry and 1D its well as 2D NMR srectroscopy. The compound represents the first naturally occurring chlorinated sesquiterpene lactone glucoside. The cytotoxicity of the new compound and related ones was evaluated using the MTT assay. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.03.006
• 作为产物：
  描述：

  ainsliaside A 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 TRANS-咖啡酸 、 (3aS)-3a,4,5,6,6abeta,7,8,9,9abeta,9balpha-十氢-8alpha-(beta-D-吡喃葡萄糖基氧基)-3,6,9-三(亚甲基)薁并[4,5-b]呋喃-2(3H)-酮
  参考文献：
  名称：

  Miyase, Toshio; Fukushima, Seigo, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 8, p. 3043 - 3046

  摘要：

  DOI：

文献信息

• Miyase, Toshio; Yamaki, Katsuyuki; Fukushima, Seigo, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 10, p. 3912 - 3917
  作者：Miyase, Toshio、Yamaki, Katsuyuki、Fukushima, Seigo

  DOI：——

  日期：——
• NOVEL DIARYL HEPATONOID-BASED COMPOUNDS AND USE THEREOF
  申请人：Ra Jeong Chan

  公开号：US20110098239A1

  公开（公告）日：2011-04-28

  The present invention relates to a diaryl hepatonoid-based compound of formula (1) having viral inhibitory activity; its pharmaceutically acceptable salt; or a hydrate, a solvate or a prodrug of any of the foregoing, and a pharmaceutical composition comprising the same, and the use thereof therapeutic agents. The diaryl hepatonoid-based compounds according to present invention have an excellent effect of inhibiting viral activity, and thus will be useful as therapeutic agents against virus-related diseases.
• TRITERPENOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS
  申请人：Ra Jeong Chan

  公开号：US20110098261A1

  公开（公告）日：2011-04-28

  The present invention relates to the use of triterpenoid-based compounds of formula (1) for inhibiting viral activity. The triterpenoid-based compounds have an excellent effect of inhibiting viral activity, and thus will be useful as therapeutic agents against virus-related diseases.
• DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS
  申请人：Ra Jeong Chan

  公开号：US20110105738A1

  公开（公告）日：2011-05-05

  The present invention relates to the use of diaryl hepatonoid-based compounds of formula (1) for inhibiting viral activity. The diaryl hepatonoid-based compounds have an excellent effect of inhibiting viral activity, and thus will be useful as therapeutic agents against virus-related diseases.
• US8426370B2
  申请人：——

  公开号：US8426370B2

  公开（公告）日：2013-04-23