3,5-Diacetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane | 145888-83-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,5-Diacetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane
• 英文别名: [5-acetyloxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate
• CAS: 145888-83-1
• 化学式: C₂₆H₃₄O₉
• 分子量: 490.551
• InChiKey: WMROZLOCVPCLGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3,5-Diacetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane 、 乙酸酐 在 吡啶 作用下， 生成 Acetic acid 4-[3,5-diacetoxy-7-(4-acetoxy-3-methoxy-phenyl)-heptyl]-2,6-dimethoxy-phenyl ester
  参考文献：
  名称：

  Constituents of Zingiberaceae. I. Diarylheptanoids from the rhizomes of ginger (Zingiber officinale Roscoe).

  摘要：

  两种新的二芳基庚烷，meso-3, 5-二乙酰氧基-1, 7-双(4-羟基-3-甲氧基苯基)庚烷 (3a) 和 3, 5-二乙酰氧基-1-(4-羟基-3, 5-二甲氧基苯基)从生姜 (Zingiber officinale ROSCOE) 的根茎中分离出 -7-(4-羟基-3-甲氧基苯基)庚烷 (4a)、脱羟基四氢姜黄素 (gingerenone A, 1) 和六氢姜黄素 (2)。它们的结构是根据化学和光谱证据阐明的。

  DOI：

  10.1248/cpb.39.120

文献信息

• KIKUZAKI, HIROE;USUGUCHI, JUNKO;NAKATANI, NOBUJI, CHEM. AND PHARM. BULL., 39,(1991) N, C. 120-122
  作者：KIKUZAKI, HIROE、USUGUCHI, JUNKO、NAKATANI, NOBUJI

  DOI：——

  日期：——
• Ginger Fraction For Inhibiting Human Cyp Enzymes
  申请人：Ebner Thomas

  公开号：US20080300304A1

  公开（公告）日：2008-12-04

  The present invention relates to a process for preparing a ginger fraction, the fraction prepared by this process and the use thereof on its own or combined with drugs for inhibiting human cytochrome P450 (CYP) enzymes (particularly cytochrome P450 3A4, CYP3A4) for positively influencing the oral bioavailability and pharmacokinetics of active substances.
• Ginger Extract For Inhibiting Human Drug Transporters
  申请人：Ishiguro Naoki

  公开号：US20090011059A1

  公开（公告）日：2009-01-08

  The present invention relates to the use of a ginger extract on its own or in combination with pharmaceutical compositions for inhibiting human drug transporters for positively influencing the oral bioavailability and pharmacokinetics of active substances.
• [EN] GINGER EXTRACT FOR INHIBITING HUMAN DRUG TRANSPORTERS<br/>[FR] EXTRAIT DE GINGEMBRE POUR INHIBER DES TRANSPORTEURS DE MEDICAMENT HUMAINS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2007071721A2

  公开（公告）日：2007-06-28

  [EN] The present invention relates to the use of a ginger extract on its own or in combination with pharmaceutical compositions for inhibiting human drug transporters for positively influencing the oral bioavailability and pharmacokinetics of active substances.
  [FR] La présente invention concerne l'utilisation d'un extrait de gingembre seul ou en combinaison avec des compositions pharmaceutiques pour inhiber des transporteurs de médicament humains pour influencer positivement la biodisponibilité et la pharmacocinétique orales de substances actives.