hederagenin

• 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: hederagenin
• 英文别名: (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 化学式: C₃₀H₄₈O₄
• 分子量: 472.709
• InChiKey: PGOYMURMZNDHNS-XZTHESQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  Olean-12-en-28-oicacid, 3-[(2-O-b-D-glucopyranosyl-b-D-galactopyranosyl)oxy]-23-hydroxy-,(3b,4a)- (9CI) 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以80 mg的产率得到hederagenin
  参考文献：
  名称：

  Gupta; Ahmed, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 3, p. 268 - 270

  摘要：

  DOI：

文献信息

• Saponins with Molluscicidal Activity fromHedera helixL
  作者：Kurt Hostettmann

  DOI：10.1002/hlca.19800630307

  日期：1980.4.23

  Four triterpenoid saponins (1–4) have been isolated from the berries of Hedera helixL.(Araliaceae) by droplet counter-current and preparative liquid chromatography. The structures have been established by FD./MS. and 13C-NMR. spectroscopy. The isolated compounds were found to possess strong molluscicidal activity against the bilharziasis-transmitting snail Biomphalaria glabrata. Saponin 4, identified as

  通过液滴逆流和制备型液相色谱从Hedera helix L. （Araliaceae）的浆果中分离出四个三萜皂苷（1-4）。该结构已通过FD./MS建立。和13 C-NMR。光谱学。发现分离出的化合物具有抗胆汁透过性的蜗牛Biomphalaria glabrata的强杀虫活性。皂角苷4是一种新的天然产物，被鉴定为二十碳三烯生成素3 - O -β-D-吡喃葡萄糖基-（1 2）-β-D-吡喃葡萄糖苷。
• [EN] NEW BIS ESTERS OF IVY SAPOGENINS FOR RUMINANTS<br/>[FR] NOUVEAUX BIS-ESTERS DE SAPOGÉNINES DE LIERRE POUR RUMINANTS
  申请人：DSM IP ASSETS BV

  公开号：WO2016193309A1

  公开（公告）日：2016-12-08

  The present invention relates to synthetic bis esters of hederagenin, and their use in ruminants to improve ruminant growth performance, reduce rumen methane emission, reduce urine ammonia excretion, and/or to reduce rumen acetate to propionate ratio. Moreover, it also relates to a feed composition for ruminants comprising bis esters of hederagenin, and to novel bis esters of hederagenin.

  本发明涉及合成的藤黄皂苷双酯，以及它们在反刍动物中用于改善反刍动物生长性能、减少瘤胃甲烷排放、减少尿液氨排泄和/或减少瘤胃乙酸到丙酸比率的用途。此外，还涉及一种含有藤黄皂苷双酯的反刍动物饲料组合物，以及新型藤黄皂苷双酯。
• Pseudomonas aeruginosa inhibitor compounds
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：US10908153B2

  公开（公告）日：2021-02-02

  The invention relates to a method of identifying molecules which inhibit the virulence machinery of Pseudomonas aeruginosa, to a device for identifying a molecule which inhibits the virulence machinery of Pseudomonas aeruginosa, to novel compounds which inhibit the virulence machinery of Pseudomonas aeruginosa, to compounds for use for preventing and/or treating a pathogenic infection caused by Pseudomonas aeruginosa and also to pharmaceutical compositions for preventing and/or treating a pathogenic infection caused by Pseudomonas aeruginosa.

  本发明涉及一种鉴定抑制铜绿假单胞菌毒力机制的分子的方法，涉及一种鉴定抑制铜绿假单胞菌毒力机制的分子的装置，涉及抑制铜绿假单胞菌毒力机制的新型化合物，涉及用于预防和/或治疗铜绿假单胞菌引起的病原体感染的化合物，还涉及用于预防和/或治疗铜绿假单胞菌引起的病原体感染的药物组合物。
• COMPOSES INHIBITEURS DE PSEUDOMONAS AERUGINOSA
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：EP3322421B1

  公开（公告）日：2020-06-10
• Pseudomonas Aeruginosa Inhibitor Compounds
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：US20180209969A1

  公开（公告）日：2018-07-26

  The invention relates to a method of identifying molecules which inhibit the virulence machinery of Pseudomonas aeruginosa, to a device for identifying a molecule which inhibits the virulence machinery of Pseudomonas aeruginosa, to novel compounds which inhibit the virulence machinery of Pseudomonas aeruginosa, to compounds for use for preventing and/or treating a pathogenic infection caused by Pseudomonas aeruginosa and also to pharmaceutical compositions for preventing and/or treating a pathogenic infection caused by Pseudomonas aeruginosa.