[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
• 化学式: C₂₀H₃₁NO₇
• 分子量: 397.5
• InChiKey: HRSGCYGUWHGOPY-SWHUVEJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  8

ADMET

毒理性

• 非人类毒性摘录

紫草（原名紫草）含有紫草碱和紫草咪啶生物碱，会导致绵羊出现黄疸和血红蛋白尿的综合征。尸检时发现肝脏肿大、呈黄色，铜含量为900-1200 ppm。一匹吃了这种植物四个月的马驹失明，疼痛呻吟，几乎对所有刺激都没有反应，症状首次发现后5小时死亡。

ECHIUM LYCOPSIS (FORMERLY ECHIUM PLANTAGINEUM) (PATERSON'S CURSE; SALVATION JANE), WHICH CONTAINS THE PYRROLIZIDINE ALKALOIDS ECHIUMIDINE AND ECHIMIDINE, CAUSES A...SYNDROME WITH SIGNS OF JAUNDICE AND HEMOGLOBINURIA, IN SHEEP. ON POST MORTEM THE LIVERS ARE FOUND TO BE ENLARGED AND YELLOW, AND TO HAVE A COPPER CONTENT OF 900-1200 PPM. A COLT THAT HAD GRAZED THE PLANT FOR FOUR MONTHS BECAME BLIND, GRUNTING WITH PAIN & ALMOST OBLIVIOUS TO STIMULI, DIED 5 HR AFTER THE SIGNS WERE FIRST NOTICED. /ECHIUM LYCOPSIS/

来源:Hazardous Substances Data Bank (HSDB)