(1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 雪卡毒素
• 英文名称: (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol
• 化学式: C₆₀H₈₆O₁₈
• 分子量: 1095.3
• InChiKey: RWSYPPRKMNWNII-BICHWBIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  78
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  221
• 氢给体数：
  5
• 氢受体数：
  18

ADMET

毒理性

• 毒性总结

雪卡毒素降低了神经系统中突触开启电压门控钠通道的阈值。打开钠通道的效果将导致去极化，这可能会依次引起瘫痪、心脏收缩以及改变听力和寒冷感。因为它不能穿过血脑屏障（BBB），雪卡毒素只影响周围神经系统（PNS）。(L994, A301)

Ciguatoxin lowers the threshold for opening voltage-gated sodium channels in synapses of the nervous system. The effect of opening a sodium channel will cause depolarization, which could sequentially cause paralysis, heart contraction, and changing the senses of hearing and cold. Because it does not cross the blood brain barrier (BBB), ciguatoxins solely affect the peripheral nervous system (PNS). (L994, A301)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

雪卡毒素中毒可导致瘫痪、心脏收缩以及听力和冷感的变化。因为它不穿过血脑屏障（BBB），雪卡毒素只影响周围神经系统（PNS）（L994）。

Ciguatoxin poisoning can cause paralysis, heart contraction, and changing the senses of hearing and cold. Because it does not cross the blood brain barrier (BBB), ciguatoxins solely affect the peripheral nervous system (PNS) (L994).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口腔（A300）

Oral (A300)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

主要症状将在摄入毒素后几小时内出现：呕吐、腹泻、四肢、口和嘴唇麻木、冷热感觉颠倒、肌肉和关节疼痛。症状可能持续几天到几周甚至几个月，具体取决于每个人的情况（A325）。

The major symptoms will develop just a few hours of toxin ingestion: vomiting, diarrhea, numbness of extremities, mouth and lips, reversal of hot and cold sensation, muscle and joint aches. The symptoms may last from days to weeks or even months depending on each individual situation (A325).

来源:Toxin and Toxin Target Database (T3DB)