3,5,7-Trioxo-decansaeure | 7028-39-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3,5,7-Trioxo-decansaeure
• 英文别名: 3,5,7-Trioxodecanoic acid；3,5,7-trioxodecanoic acid
• CAS: 7028-39-9
• 化学式: C₁₀H₁₄O₅
• 分子量: 214.218
• InChiKey: YHIPJWOFEPJIGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  88.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  二氧化碳 、 nonane-2,4,6-trione 生成 3,5,7-Trioxo-decansaeure
  参考文献：
  名称：

  Formation of trianions of 2,4,6-triketones. Synthesis of 3,5,7-triketo acids using lithium diisopropylamide

  摘要：

  DOI：

  10.1021/ja00440a047

文献信息

• OLIVETOLIC ACID CYCLASE VARIANTS AND METHODS FOR THEIR USE
  申请人：Genomatica, Inc.

  公开号：EP3980520A1

  公开（公告）日：2022-04-13
• [EN] OLIVETOLIC ACID CYCLASE VARIANTS AND METHODS FOR THEIR USE<br/>[FR] VARIANTS DE CYCLASE D'ACIDE OLIVETOLIQUE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENOMATICA INC

  公开号：WO2020247741A1

  公开（公告）日：2020-12-10

  Described herein are olivetolic acid cyclases (OAC) including non-natural variants capable of forming a 2,4-dihydroxy-6-alkylbenzoic acid from a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate. In some examples, the non-natural OAC is capable of forming a 2,4-dihydroxy-6-alkylbenzoic acid from a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate at a greater rate. In some examples, the non-natural OAC has a higher affinity for a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate, as compared to the wild type OAC. The non-natural OAC can be used with olivetol synthase (OLS) to form the 2,4-dihydroxy-6-alkylbenzoic acid from malonyl-CoA and acyl-CoA through a 3,5,7-trioxoacyl-CoAintermediate. The non-natural OAC (and OLS) can be expressed in an engineered cell having a pathway to form cannabinoids, which include CBGA, its analogs and derivatives. CBGA can be used for the preparation of cannabigerol (CBG), which can be used in therapeutic compositions.