2-hydroxy-3,4-dimethoxy-trans-cinnamic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-hydroxy-3,4-dimethoxy-trans-cinnamic acid
• 英文别名: 2-Hydroxy-3,4-dimethoxy-trans-zimtsaeure；2-Hydroxy-3,4-dimethoxycinnamic acid；(E)-3-(2-hydroxy-3,4-dimethoxyphenyl)prop-2-enoic acid
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: BFYCMQNZMBSHKP-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3,4-dimethoxy-trans-cinnamic acid 在 乙醇 、 钯 作用下， 生成 dihydrocinnamic acid
  参考文献：
  名称：

  Gruber, Monatshefte fur Chemie, 1944, vol. 75, p. 14,22

  摘要：

  DOI：
• 作为产物：
  描述：

  瑞香素二甲醚 在 甲醇 、 sodium hydroxide 、 乙醇 、 sodium ethanolate 作用下， 生成 2-hydroxy-3,4-dimethoxy-trans-cinnamic acid
  参考文献：
  名称：

  Gruber, Monatshefte fur Chemie, 1944, vol. 75, p. 14,22

  摘要：

  DOI：

文献信息

• Enzymatic synthesis of kavalactones and flavokavains
  申请人：Whitehead Institute for Biomedical Research

  公开号：US10941429B2

  公开（公告）日：2021-03-09

  Disclosed are methods, compositions, proteins, nucleic acids, cells, vectors, compounds, reagents, and systems for the preparation of kavalactones, flavokavains, and kavalactone and flavokavain biosynthetic intermediates using enzymes expressed in heterologous host cells, such as microorganisms or plants, or using in vitro enzymatic reactions. This invention also provides for the expression of the enzymes by recombinant cell lines and vectors. Furthermore, the enzymes can be components of constructs such as fusion proteins. The kavalactones produced can be utilized to treat anxiety disorder, insomnia, and other psychological and neurological disorders. The flavokavains produced can be utilized to treat various cancers including colon, bladder, and breast cancers.

  本发明公开了利用在异源宿主细胞（如微生物或植物）中表达的酶或利用体外酶促反应制备卡瓦内酯、黄酮素以及卡瓦内酯和黄酮素生物合成中间体的方法、组合物、蛋白质、核酸、细胞、载体、化合物、试剂和系统。本发明还提供了通过重组细胞系和载体表达酶的方法。此外，酶还可以是融合蛋白等构建体的组成部分。生产的卡瓦内酯可用于治疗焦虑症、失眠症以及其他心理和神经疾病。生产的黄酮类化合物可用于治疗各种癌症，包括结肠癌、膀胱癌和乳腺癌。
• Anet et al., Australian Journal of Scientific Research, Series A: Physical Sciences, 1949, vol. <A> 2, p. 127,130
  作者：Anet et al.

  DOI：——

  日期：——
• ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS
  申请人：Whitehead Institute for Biomedical Research

  公开号：US20190271015A1

  公开（公告）日：2019-09-05

  Disclosed are methods, compositions, proteins, nucleic acids, cells, vectors, compounds, reagents, and systems for the preparation of kavalactones, flavokavains, and kavalactone and flavokavain biosynthetic intermediates using enzymes expressed in heterologous host cells, such as microorganisms or plants, or using in vitro enzymatic reactions. This invention also provides for the expression of the enzymes by recombinant cell lines and vectors. Furthermore, the enzymes can be components of constructs such as fusion proteins. The kavalactones produced can be utilized to treat anxiety disorder, insomnia, and other psychological and neurological disorders. The flavokavains produced can be utilized to treat various cancers including colon, bladder, and breast cancers.
• Gruber, Monatshefte fur Chemie, 1944, vol. 75, p. 14,22
  作者：Gruber

  DOI：——

  日期：——