3-(3-Methylphenyl)propanoyl-phloroglucinol | 1264066-65-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(3-Methylphenyl)propanoyl-phloroglucinol
• 英文别名: 3-(3-methylphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
• CAS: 1264066-65-0
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: QMQSJTQCRJVOHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-甲基苯基)丙酸 、 3-(3-Methylphenyl)propanoyl-phloroglucinol 生成 3,5-dihydroxy-2-(3-(3-methylphenyl)propanoyl)-4,6,6-triisopentylcyclohexa-2,4-dienone
  参考文献：
  名称：

  ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS

  摘要：

  本发明提供一种公式（I）的化合物或其盐，其中R1-R5具有规范中描述的任何值，以及包含公式（I）化合物的组合物。这些化合物可用作RNA聚合酶抑制剂和抗菌剂。

  公开号：

  US20130289128A1
• 作为产物：
  描述：

  3-甲基肉桂酸 、 丙二酰辅酶A-钠盐 在 Saccharomyces cerevisiae strain AH₂₂ (MATA leu2-3 leu2-112 his4-519 can1) (ATCC 38626) 、 4-coumaroyl:CoA-ligase 、 chalcone synthase 作用下， 反应 72.0h， 生成 、 3-(3-Methylphenyl)propanoyl-phloroglucinol
  参考文献：
  名称：

  Synthesis of non-natural flavanones and dihydrochalcones in metabolically engineered yeast

  摘要：

  Flavonoids are plant phenolic compounds that have many interesting medicinal properties. Therefore, there is interest in the synthesis of non-natural flavonoids as they may possess new or enhanced biological activities. In this study, metabolically engineered Saccharomyces cerevisiae expressing 4-coumaroyl:CoA-ligase (4CL) and chalcone synthase (CHS) was explored as a platform for producing non-natural flavanones and dihydrochalcones. By precursor addition of cinnamic acid analogues to the engineered yeast, numerous non-natural flavanones and dihydrochalcones were formed in vivo. Also, several CHS derailment products were formed. Of the isolated compounds, one flavanone and three derailment products were found to be novel compounds. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2010.05.017

文献信息

• Arylpropionyl-triketone antibacterial agents
  申请人：Ebright Richard H.

  公开号：US10800725B2

  公开（公告）日：2020-10-13

  The invention provides a compound of formula (I): or a salt thereof, wherein R1-R5 have any of the values described in the specification, as well as compositions comprising a compound of formula (I). The compounds are useful as RNA polymerase inhibitors and antibacterial agents.

  该发明提供了化合物的结构式(I)：或其盐，其中R1-R5具有规范中描述的任何值，以及包含结构式(I)化合物的组合物。这些化合物可用作RNA聚合酶抑制剂和抗菌剂。
• [EN] ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTÉRIENS À BASE D'ARYLPROPIONYL-TRICÉTONE
  申请人：UNIV RUTGERS

  公开号：WO2012033846A1

  公开（公告）日：2012-03-15

  The invention provides a compound of formula (I): or a salt thereof, wherein R1-R5 have any of the values described in the specification, as well as compositions comprising a compound of formula (I). The compounds are useful as RNA polymerase inhibitors and antibacterial agents.
• Synthesis of non-natural flavanones and dihydrochalcones in metabolically engineered yeast
  作者：Sean R. Werner、Hao Chen、Hanxiao Jiang、John A. Morgan

  DOI：10.1016/j.molcatb.2010.05.017

  日期：2010.10

  Flavonoids are plant phenolic compounds that have many interesting medicinal properties. Therefore, there is interest in the synthesis of non-natural flavonoids as they may possess new or enhanced biological activities. In this study, metabolically engineered Saccharomyces cerevisiae expressing 4-coumaroyl:CoA-ligase (4CL) and chalcone synthase (CHS) was explored as a platform for producing non-natural flavanones and dihydrochalcones. By precursor addition of cinnamic acid analogues to the engineered yeast, numerous non-natural flavanones and dihydrochalcones were formed in vivo. Also, several CHS derailment products were formed. Of the isolated compounds, one flavanone and three derailment products were found to be novel compounds. (C) 2010 Elsevier B.V. All rights reserved.
• ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS
  申请人：Ebright Richard H.

  公开号：US20130289128A1

  公开（公告）日：2013-10-31

  The invention provides a compound of formula (I): or a salt thereof, wherein R 1 -R 5 have any of the values described in the specification, as well as compositions comprising a compound of formula (I). The compounds are useful as RNA polymerase inhibitors and antibacterial agents.

  本发明提供一种公式（I）的化合物或其盐，其中R1-R5具有规范中描述的任何值，以及包含公式（I）化合物的组合物。这些化合物可用作RNA聚合酶抑制剂和抗菌剂。