甲基黄连碱 | 38763-29-0
甲基黄连碱
Worenine
38763-29-0
C20H16NO4
334.3453
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:甲基黄连碱结构式
名称和标识符
InChIKey |
LCXREBMNASQAOC-UHFFFAOYSA-N |
Inchi |
1S/C20H16NO4/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21/h4-8H,2-3,9-10H2,1H3/q+1 |
SMILES |
O1C([H])([H])OC2=C1C([H])=C1C(=C2[H])C([H])([H])C([H])([H])[N+]2=C([H])C3=C([H])C4=C(C([H])=C3C(C([H])([H])[H])=C21)OC([H])([H])O4 |
别名信息
- 英文别名 -
- Worenine
- Worenine chloride
- 13-Methyl-y-coptisine
- 5,6-Dihyd<wbr>
- 5,6-Dihydro-14-methyl-bis[1,3]benzodioxolo[5,6-a:5',6'-g]quinolizinium
- Worenin
- STF4A6F4EH
- Worenine ion
- Worenine cation
- Worenine [MI]
- C17083
- Q27151413
物化性质
实验特性
计算特性
精确分子量 |
334.10793299 g/mol |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
0 |
同位素质量 |
334.10793299 g/mol |
重原子数量 |
25 |
复杂度 |
530 |
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) |
3.9 |
拓扑分子极性表面积 |
40.8 |
分子量 |
334.3 |
相关文献
-
1.
Dissection of the potential pharmacological mechanism of Rhizoma coptidis water extract against inflammation in diabetes mellitus via chemical profiling, network pharmacology and experimental validation
Feng-xiang Zhang,Min Li,Yu-lin-lan Yuan,Shuang-Shuang Cui,Zuo-cheng Qiu,Rui-man Li New J. Chem. 2021 45 16283
-
2.
Protective effects of Coptis chinensis inflorescence extract and linarin against carbon tetrachloride-induced damage in HepG2 cells through the MAPK/Keap1-Nrf2 pathway
Bing-Xin Ma,Xiao-Shan Meng,Jing Tong,Lan-Lan Ge,Gao Zhou,You-Wei Wang Food Funct. 2018 9 2353
-
3.
Structuring polarity-inverted TBA to G-quadruplex for selective recognition of planarity of natural isoquinoline alkaloids
Yufeng Zhou,Yali Yu,Longlong Gao,Yifan Fei,Ting Ye,Qiusha Li,Xiaoshun Zhou,Ning Gan,Yong Shao Analyst 2018 143 4907
-
4.
Experiments on the synthesis of tetrahydroworenine
John A. D. Jeffreys J. Chem. Soc. 1955 79
-
5.
Index of subjects
Annu. Rep. Prog. Chem. 1927 24 357
-
6.
Index of authors, 1955
J. Chem. Soc. 1955 4510
-
7.
Index of subjects, 1995
J. Chem. Soc. 1955 4531
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