| Phytochemical Name : Oxychelerythrine |
| PCNDIDO0047 |
| Pubchem CID : 147279 |
| Molecular formula: C21H17NO5 |
| Canonical SMILES : CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C(=C(C=C5)OC)OC |
Synonymes : Oxychelerythrine|28342-33-8|6-Oxochelerythrine|Dihydrooxochelerythrine|CCRIS 3805|BRN 0345198|1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one|Chelerythrine, 12,13-dihydro-13-oxo-|(1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl-|4-27-00-06655 (Beilstein Handbook Reference)|(1,3)Benzodioxolo(5,6-c)phenanthridin-13(12H)-one, 1,2-dimethoxy-12-methyl- (9CI)|Oxycheleritrine|SCHEMBL10633372|CHEBI:31141|DTXSID70182584|AKOS032948933|LS-52943|Q27114173|7,8-dimethoxy-2,3-methylenedioxy-5-methylbenzo [c]phenanthridin-6(5h)-one|1,2-Dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-13(12H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 3.650 |
| Log Po/w (WLOGP) : 3.590 |
| Log Po/w (MLOGP) : 2.730 |
| Log Po/w (SILICOS-IT) : 3.990 |
| Consensus Log Po/w : 3.440 |