jacoumaric acid | 63303-42-4

• 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: jacoumaric acid
• 英文别名: (1S,2R,4aS,6aS,6bR,10R,11R,12aR,14bS)-11-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
• CAS: 63303-42-4
• 化学式: C₃₉H₅₄O₆
• 分子量: 618.854
• InChiKey: FEVUQLLYZLSRLB-HEIPXHRQSA-N

物化性质

• 熔点：
  236-238 °C(Solv: methanol (67-56-1))
• 沸点：
  718.7±60.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  45
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  jacoumaric acid 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 4-香豆酸 、 2α-hydroxyursolic acid
  参考文献：
  名称：

  Cytotoxic triterpenes from a chinese medicine, Goreishi.

  摘要：

  对 Goreichi 的甲醇提取物（Trogopterus xanthipes MILNE-EDWARDS 的粪便）进行生物活性引导的分馏，得到一种新的和三种已知的细胞毒性三萜，即 3-O-cis-p-coumaroyltormentic Acid、pomolic Acid、2α-Hydroxyursolic Acid、在这项研究过程中，分离出另外六种没有细胞毒活性的化合物，即山楂酸、3-O-反式-对香豆酰山楂酸、熊果酸、山楂酸、桉树酸和一种新的三萜, 3-O-反式-对香豆酰托薄荷酸。新化合物的结构是基于固定演化时间的X-核-质子相关性（XCORFE）和其他光谱证据建立的。

  DOI：

  10.1248/cpb.37.648

文献信息

• Compositions and methods for controlling biofilms and bacterial infections
  申请人：Eldridge R. Gary

  公开号：US20070014739A1

  公开（公告）日：2007-01-18

  The present invention provides compounds and compositions useful for controlling bacterial biofilms as well as for controlling and/or preventing bacterial infections. The compounds of the invention are pentacyclic acid triterpenes. Methods for controlling biofilms and for controlling and/or preventing bacterial infections are also disclosed.
• Componds, Composition and Method for Controlling Biofolms and Bacterail Infections
  申请人：Eldridge Gary R.

  公开号：US20080145322A1

  公开（公告）日：2008-06-19

  The present invention provides compounds and compositions useful for controlling bacterial biofilms as well as for controlling and/or preventing bacterial infections. The compounds of the invention are pentacyclic acid triterpenes. Methods for controlling biofilms and for controlling and/or preventing bacterial infections are also disclosed.
• INHIBITION OF BIOFILM FORMATION
  申请人：Eldridge Gary R.

  公开号：US20100041753A1

  公开（公告）日：2010-02-18

  The present invention relates to compositions and methods for reducing or inhibiting biofilm comprising modulating expression of a cysB gene in a cell. The invention also provides methods for modulating the expression of a cysB, cysD, cysI, cysJ, cysK, and ybiK. The invention further provides methods for identifying gene(s) involved in biofilm formation and for identifying biofilm inhibitors.
• US7612045B2
  申请人：——

  公开号：US7612045B2

  公开（公告）日：2009-11-03