7-Hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 7-Hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
• 英文别名: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
• 化学式: C20H26NO4+
• 分子量: 344.4
• InChiKey: ABSDACFLIMOXJY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• N-ALKYLATION OF ALKALOID COMPOUNDS
  申请人：Willow BioSciences Inc.

  公开号：US20210087593A1

  公开（公告）日：2021-03-25

  Disclosed are methods for converting an alkaloid substrate compound into a N-alkylated alkaloid product compound in the presence of an alkyl donor compound and catalytic quantities of an N-alkyltransferase enzyme capable of converting the alkaloid substrate into an alkylated product. The N-alkyltransferase is obtainable from Ephedra sinica.