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白叶藤碱 | 480-26-2

白叶藤碱结构式图片|480-26-2结构式图片
中文名称:白叶藤碱
英文名称:Cryptolepine
CAS No.:480-26-2 分子式:C16H12N2 分子量:232.279883384705
植物源: 白叶藤属植物   
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:白叶藤碱结构式
国内供应商
白叶藤碱的其他展现形式
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简介
白叶藤碱是西非国家药用植物白叶藤中主要的生物碱,白叶藤碱具有丰富的生物活性。在生物作用机理研究中发现,白叶藤碱能够插入到DNA碱基对之间,是一个典型的DNA插入剂,具有稳定DNA-拓扑异构酶Ⅱ共价复合物的作用,是潜在的拓扑异构酶Ⅱ抑制剂
名称和标识符
InChIKey KURWKDDWCJELSV-UHFFFAOYSA-N
Inchi 1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
SMILES N1(C)C2C=CC=CC=2C=C2C1=C1C=CC=CC1=N2
别名信息
- 中文别名 -
白叶藤碱
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- 英文别名 -
cryptolepine Cryptolepine hydrate 5H-Quindoline, 5-methyl- 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE AC1Q4UOU C09142 CCRIS 9019 NSC647765 SureCN542771 5-methylindolo[3,2-b]quinoline OF1UIT4RDH 5-Methylquindoline 5-Methyl-5H-quindoline hydrate BDBM50412201 Q5190964 5-Methyl-5H-quindoline DR1
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物化性质
 实验特性
PSA 15.6
溶解度 DMSO: ≥5mg/mL
 计算特性
精确分子量 232.10016
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 0
重原子数量 18
复杂度 316
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.3
互变异构体数量
表面电荷 0
拓扑分子极性表面积 17.8
国际标准相关数据
EINECS 9019
相关文献

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3. Synthesis, analysis and biological evaluation of novel indolquinonecryptolepine analogues as potential anti-tumour agents
A. Le Gresley,V. Gudivaka,S. Carrington,A. Sinclair,J. E. Brown Org. Biomol. Chem. 2016 14 3069

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10. A concise Friedl?nder/Buchwald–Hartwig approach to the total synthesis of quindoline, a bioactive natural indoloquinoline alkaloid, and toward the unnatural 10-methylquindoline
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