栎木鞣花素 | 24312-00-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 中文名称: 栎木鞣花素
• 英文名称: Vescalagin
• 英文别名: 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
• CAS: 24312-00-3；36001-47-5
• 化学式: C₄₁H₂₆O₂₆
• 分子量: 934.6
• InChiKey: UDYKDZHZAKSYCO-UHFFFAOYSA-N

物化性质

• 密度：
  2.034±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 熔点：
  200°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  67
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  455
• 氢给体数：
  16
• 氢受体数：
  26

安全信息

• WGK Germany：
  3
• 储存条件：
  20°C

文献信息

• USE OF CASTALAGIN OR ANALOGS THEREOF FOR ANTI-CANCER EFFICACY AND TO INCREASE THE RESPONSE TO IMMUNE CHECKPOINT INHIBITORS
  申请人：The Royal Institution for the Advancement of Learning / McGill University

  公开号：EP4106747A1

  公开（公告）日：2022-12-28
• C-GLUCOSIDIC ELLAGITANNIN COMPOUNDS FOR USE FOR ALTERING THE SUPRAMOLECULAR ARRANGEMENT OF ACTIN AND FOR THE TREATMENT OF OSTEOPOROSIS, CANCER, BACTERIAL INFECTION AND VIRAL INFECTION
  申请人：Quideau Stephane

  公开号：US20130324595A1

  公开（公告）日：2013-12-05

  The present invention concerns a C-glucosidic ellagitannin compound or a metabolite thereof for use for altering the supramolecular arrangement of actin in an individual suffering from osteoporosis, cancer, bacterial infection, or viral infection. It also pertains to pharmaceutical compositions comprising a C-glucosidic ellagitannin compound and/or metabolites thereof and one or more physiologically acceptable carriers. It finally concerns a C-glucosidic ellagitannin compound or a metabolite thereof, optionally detectably labeled, for in vitro use as a tool for studying cellular mechanisms involving actin, or for detecting F-actin in a cell.
• [EN] C-GLUCOSIDIC ELLAGITANNIN COMPOUNDS FOR USE FOR ALTERING THE SUPRAMOLECULAR ARRANGEMENT OF ACTIN AND FOR THE TREATMENT OF OSTEOPOROSIS, CANCER, BACTERIAL INFECTION AND VIRAL INFECTION<br/>[FR] COMPOSÉS D'ELLAGITANIN C-GLUCOSIDIQUE DESTINÉS À ÊTRE UTILISÉS POUR MODIFIER L'ARRANGEMENT SUPRAMOLÉCULAIRE DE L'ACTINE ET POUR LE TRAITEMENT DE L'OSTÉOPOROSE, DU CANCER, D'UNE INFECTION BACTÉRIENNE ET UNE D'INFECTION VIRALE
  申请人：INST NAT SANTE RECH MED

  公开号：WO2012113835A1

  公开（公告）日：2012-08-30

  The present invention concerns a C-glucosidic ellagitannin compound or a metabolite thereof for use for altering the supramolecular arrangement of actin in an individual suffering from osteoporosis, cancer, bacterial infection, or viral infection. It also pertains to pharmaceutical compositions comprising a C-glucosidic ellagitannin compound and/or metabolites thereof and one or more physiologically acceptable carriers. It finally concerns a C-glucosidic ellagitannin compound or a metabolite thereof, optionally detectably labeled, for in vitro use as a tool for studying cellular mechanisms involving actin, or for detecting F-actin in a cell.