| InChIKey | ZHYQCBCBTQWPLC-UHFFFAOYSA-N |
| Inchi | 1S/C20H17NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9H,5-6,10H2,1-2H3 |
| SMILES | O1C([H])([H])OC2=C1C([H])=C1C(=C2[H])C2=C([H])C3C([H])=C([H])C(=C(C=3C(N2C([H])([H])C1([H])[H])=O)OC([H])([H])[H])OC([H])([H])[H] |
| BRN | 0339209 |
| LogP | 2.97050 |
| PSA | 58.92000 |
| 熔点 | 200-201 ºC |
| 溶解度 | Insuluble (1.8E-3 g/L) (25 ºC), |
| 颜色与性状 | Orange powder |
| 密度 | 1.44±0.1 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 351.11100 |
| 氢键供体数量 | 0 |
| 氢键受体数量 | 5 |
| 可旋转化学键数量 | 2 |
| 同位素质量 | 351.11067264 g/mol |
| 重原子数量 | 26 |
| 复杂度 | 607 |
| 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） | 2.9 |
| 拓扑分子极性表面积 | 57.2 |
| 分子量 | 351.4 |
| EINECS | 93138 |
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.
CCXXVIII.—Synthetical experiments in the iso-quinoline group. Part V. Synthesis of substances allied to oxyberberine
Robert Downs Haworth,William Henry Perkin,Herbert Sheppard Pink J. Chem. Soc. Trans. 1925 127 1709
3.
CIII.—A synthesis of oxyberberine. Part I
William Henry Perkin,Janendra Nath Ray,Robert Robinson J. Chem. Soc. Trans. 1925 127 740
4.
CIII.—A synthesis of oxyberberine. Part I
William Henry Perkin,Janendra Nath Ray,Robert Robinson J. Chem. Soc. Trans. 1925 127 740
5.
LXXI.—Contributions from the Laboratories of the Heriot Watt College, Edinburgh. On berberine. Part II
W. H. Perkin J. Chem. Soc. Trans. 1890 57 992
6.
LXXXII.—A new synthesis of oxyberberine and a synthesis of palmatine
Robert Downs Haworth,Joseph Blake Koepfli,William Henry Perkin J. Chem. Soc. 1927 548
7.
CCXIX.—ψ-Berberine
Robert Downs Haworth,William Henry Perkin,John Rankin J. Chem. Soc. Trans. 1924 125 1686
8.
XXXIII.—isoOxyberberine
Norman Bland,William Henry Perkin,Robert Robinson J. Chem. Soc. Trans. 1912 101 262
9.
LXV.—A study of some derivatives of berberine closely allied to derivatives of cryptopine
William Henry Perkin J. Chem. Soc. Trans. 1918 113 722
10.
CCXXXV.—Synthesis of cryptopine and protopine
Robert Downs Haworth,William Henry Perkin J. Chem. Soc. 1926 129 1769
物理化学性质
密度：1.44g/cm3
熔点：200-201ºC
沸点：611.5ºC at 760mmHg
闪点：323.6ºC
折射率：1.691
549-21-3的质谱图
