2-[3-(diethylazaniumyl)-6-(ethylamino)-3H-xanthen-9-yl]benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-[3-(diethylazaniumyl)-6-(ethylamino)-3H-xanthen-9-yl]benzoate
• 化学式: C26H28N2O3
• 分子量: 416.5
• InChiKey: CAEOGOSONGWQEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• NOVEL ENZYMES
  申请人：UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS

  公开号：US20210335453A1

  公开（公告）日：2021-10-28

  The present disclosure is based on the identification of a novel sequence motif present in halogenase type enzymes. From this, the disclosure provides methods for identifying and or detecting halogenases (halogenating enzymes) and novel halogenases identifiable using such methods. The disclosure also provides a novel cohort of enzymes and novel methods for achieving substrate halogenation.