栗木素 | 34112-28-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 中文名称: 栗木素
• 英文名称: Castalin
• 英文别名: 7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
• CAS: 34112-28-2；19086-75-0
• 化学式: C₂₇H₂₀O₁₈
• 分子量: 632.4
• InChiKey: PPUHUWSVCUJGTD-UHFFFAOYSA-N

物化性质

• 沸点：
  1423.6±65.0 °C(Predicted)
• 密度：
  2.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  45
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  322
• 氢给体数：
  12
• 氢受体数：
  18

文献信息

• 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.