槐胺 | 6882-66-2
槐胺
Sophoramine
6882-66-2
C15H20N2O
244.3321
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:槐胺结构式
名称和标识符
MDL |
MFCD01632128 |
InChIKey |
MMCQRJPAMIHLQX-ZOWXZIJZSA-N |
Inchi |
InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1 |
SMILES |
O=C1C=CC=C2[C@H]3CCCN4[C@H]3[C@H](CN12)CCC4 |
别名信息
- 中文别名 -
- 槐胺
- 槐胺碱
- 11,12,13,14-四去氢苦参次碱-15-酮
- 纳米级苦参提取物
- 英文别名 -
- Sophoramine
- 11,12,13,14-Tetradehydromatridin-15-one
- (-)-sophoramine
- 11,12,13,14-Tetradehydro-matridin-15-on
- CS-0137997
- DTXSID00218926
- 52932-74-8
- AC1L52YI
- (1S,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
- MFCD01632128
- Neosophoramine
- C10782
- AKOS015897162
- (1S,9S,17S)-7,13-diazatetracyclo[7.7.1.0?,?.0??,??]heptadeca-2,4-dien-6-one
- CHEBI:9198
- Matridin-15-one, 11,12,13,14-tetradehydro-
- HY-N3198A
- 6882-66-2
- CHEMBL3590540
- AC1Q6CQP
- Q27108306
物化性质
实验特性
LogP |
1.75780 |
PSA |
25.24000 |
折射率 |
1.628 |
沸点 |
455.6 °C at 760 mmHg |
闪点 |
455.6 °C at 760 mmHg |
密度 |
1.22 |
计算特性
精确分子量 |
244.15800 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
同位素质量 |
244.158 |
重原子数量 |
18 |
复杂度 |
440 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
1.6 |
拓扑分子极性表面积 |
23.6A^2 |
相关文献
-
1.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 2001 18 520
-
2.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 2007 24 191
-
3.
A novel strategy of profiling the mechanism of herbal medicines by combining network pharmacology with plasma concentration determination and affinity constant measurement
Langdong Chen,Diya Lv,Dongyao Wang,Xiaofei Chen,Zhenyu Zhu,Yan Cao,Yifeng Chai Mol. BioSyst. 2016 12 3347
-
4.
A simple matrine derivative for the facile syntheses of mesoporous zeolites ITQ-37 and ITQ-43
Chuanqi Zhang,Xu Li,Xinzhu Li,Jibo Hu,Liangkui Zhu,Yan Li,Jiuxing Jiang,Zhendong Wang,Weimin Yang Chem. Commun. 2019 55 2753
-
5.
226. Sophora alkaloids. Part II. The alkaloids of the seeds of S. tetraptera
Lindsay H. Briggs,Walter S. Taylor J. Chem. Soc. 1938 1206
-
6.
377. Sophora alkaloids. Part I. The alkaloids of the seeds of S. microphylla, ait
Lindsay H. Briggs,J. Ricketts J. Chem. Soc. 1937 1795
-
7.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 1997 14 21
-
8.
Index pages
Nat. Prod. Rep. 1997 14 I1
-
9.
Indolizidine and quinolizidine alkaloids
J. P. Michael Nat. Prod. Rep. 1994 11 639
-
10.
Indolizidine and quinolizidine alkaloids
Joseph P. Michael Nat. Prod. Rep. 2005 22 603
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