repandusinin | 125445-49-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: repandusinin
• 英文别名: Vxvqhkngdghvca-jsujqsfvsa-；2-[[(1R,19R,21S,22R,23R)-7,8,11,12,13,22-hexahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-23-(7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carbonyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-6-yl]oxy]-3,4,5-trihydroxybenzoic acid
• CAS: 125445-49-0
• 化学式: C₄₇H₃₂O₃₀
• 分子量: 1076.75
• InChiKey: VXVQHKNGDGHVCA-JSUJQSFVSA-N

物化性质

• 密度：
  2.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  77
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  508
• 氢给体数：
  16
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  repandusinin 以 水 为溶剂， 反应 2.0h， 生成 野桐酸 、 brevifolin carboxylic acid
  参考文献：
  名称：

  Saijo, Reiko; Nonaka, Gen-ichiro; Nishioka, Itsuo, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 10, p. 2624 - 2630

  摘要：

  DOI：

文献信息

• SAIJO, REIKO;NONAKA, GEN-ICHIRO;NISHIOKA, ITSUO, CHEM. AND PHARM. BULL., 37,(1989) N0, C. 2624-2630
  作者：SAIJO, REIKO、NONAKA, GEN-ICHIRO、NISHIOKA, ITSUO

  DOI：——

  日期：——
• COMPOSITION FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：Jointherapeutics S.r.l.

  公开号：EP3773525A1

  公开（公告）日：2021-02-17
• ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING
  申请人：Mathee Kalai

  公开号：US20110105421A1

  公开（公告）日：2011-05-05

  Described herein are materials and methods for the inhibition of bacterial QS. Methods of treating bacterial infections by administration of one or more ellagitannins in amount effective to inhibit bacterial QS is also provided.
• USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING
  申请人：THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES

  公开号：US20130317094A1

  公开（公告）日：2013-11-28

  Described herein are materials and methods for the inhibition of bacterial QS. Methods of treating bacterial infections by administration of one or more ellagitannins in amount effective to inhibit bacterial QS is also provided.
• [EN] USE OF ELLAGITANNINS AS INHIBITORS OF BACTERIAL QUORUM SENSING<br/>[FR] UTILISATION D'ELLAGITANNINES COMME INHIBITEURS DE LA DÉTECTION DU QUORUM BACTÉRIEN
  申请人：FLORIDA INTERNAT UINVERSITY BO

  公开号：WO2009114810A2

  公开（公告）日：2009-09-17

  Described herein are materials and methods for the inhibition of bacterial QS. Methods of treating bacterial infections by administration of one or more ellagitannins in amount effective to inhibit bacterial QS is also provided.