(1S,2R,13S,14S,15S,16S,17R,28S)-5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1S,2R,13S,14S,15S,16S,17R,28S)-5,8,10,14,20,23,25,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone
• 化学式: C₃₀H₂₂O₁₂
• 分子量: 574.5
• InChiKey: FAZDYVMEXQHRLI-VPRSFBPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  230
• 氢给体数：
  8
• 氢受体数：
  12

ADMET

毒理性

• 致癌性证据

没有关于人类的数据。动物致癌性的证据有限。总体评估：第3组：该物质对人类致癌性无法分类。

No data are available in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌剂：葛枣素

IARC Carcinogenic Agent:Luteoskyrin

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：对其对人类的致癌性无法分类

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专著：第10卷：（1976年）一些天然存在的物质

IARC Monographs:Volume 10: (1976) Some Naturally Occurring Substances

来源:International Agency for Research on Cancer (IARC)

毒理性

• 人类毒性摘录

LUTEOSKYRIN, A METABOLITE OF A NUMBER OF PENICILLIUM SPECIES, IS...POTENT CARCINOGEN FOUND ON CONTAMINATED FOOD...USUALLY RICE.

LUTEOSKYRIN, A METABOLITE OF A NUMBER OF PENICILLIUM SPECIES, IS...POTENT CARCINOGEN FOUND ON CONTAMINATED FOOD...USUALLY RICE.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

...缓慢吸收后跟随其SC（每日注射3次，每次5微克/克）或口服给药（每次9微克/动物）/(3)H-紫堇辛素/。与其它器官相比，肝脏中的放射性物质含量极高...紫堇辛素通过胆汁和肾脏排出，通过化学鉴定在粪便和尿液中发现了紫堇辛素。

...IS ABSORBED SLOWLY FOLLOWING ITS SC (3 DAILY INJECTIONS OF 5 UG/G) OR ORAL ADMIN (9 UG/ANIMAL) /OF (3)H-LUTEOSKYRIN/. RADIOACTIVITY WAS EXTREMELY HIGH IN THE LIVER WHEN COMPARED WITH THAT IN OTHER ORGANS... LUTEOSKYRIN WAS EXCRETED VIA THE BILE AND KIDNEYS, AS SHOWN BY CHEMICAL IDENTIFICATION OF LUTEOSKYRIN IN THE FECES AND URINE.

来源:Hazardous Substances Data Bank (HSDB)