6-[5,7-Dihydroxy-2-(4-hydroxy-3-sulooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 6-[5,7-Dihydroxy-2-(4-hydroxy-3-sulooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 英文别名: 6-[5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₂₁H₁₈O₁₆S
• 分子量: 558.4
• InChiKey: BHFKPZSIVFOJEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  275
• 氢给体数：
  8
• 氢受体数：
  16

文献信息

• BIOMARKERS AND USES THEREOF
  申请人：The University of Manchester

  公开号：US20210287894A1

  公开（公告）日：2021-09-16

  The present invention relates to methods of assessing whether an individual has Parkinson's Disease (PD) and/or is no longer responding to treatment, the method comprising the identification of one or more volatile compounds in the sebum of the individual. The present invention also relates to methods of extracting and detecting analytes from sebum.