| Phytochemical Name : Chelilutine |
| PCNDIDC0108 |
| Pubchem CID : 443720 |
| Molecular formula: C22H20NO5+ |
| Canonical SMILES : C[N+]1=C2C(=C3C(=CC(=C(C3=C1)OC)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
Synonymes : Chelilutine|C12229|1,2,4-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium|55950-32-8|AC1L9F2E|CHEMBL4748098|CHEBI:31390|DTXSID001318159|Q27114299|[1,3]benzodioxolo[5,6-c]phenanthridinium, 1,2,4-trimethoxy-12-methyl-|1,2,4-trimethoxy-12-methyl-[1,3]benzodioxolo[6,5-c]phenanthridin-12-ium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.530 |
| Log Po/w (XLOGP3) : 4.550 |
| Log Po/w (WLOGP) : 3.730 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 4.130 |
| Consensus Log Po/w : 3.030 |