| Phytochemical Name : Fagaridine |
| PCNDIDF0002 |
| Pubchem CID : 177893 |
| Molecular formula: C20H16NO4+ |
| Canonical SMILES : C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5 |
Synonymes : FAGARIDINE|Isofagaridine|O-Demethylchelerythrine|CHEBI:4967|CHEMBL305942|66804-20-4|2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol|NK-109-1|C09430|AC1L4312|SureCN108986|SCHEMBL108986|Q27106596|(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1- hydroxy-2-methoxy-12-methyl-|(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1(or 2)-hydroxy-2(or 1)-methoxy-12-methyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.100 |
| Log Po/w (XLOGP3) : 4.250 |
| Log Po/w (WLOGP) : 3.410 |
| Log Po/w (MLOGP) : 2.310 |
| Log Po/w (SILICOS-IT) : 3.550 |
| Consensus Log Po/w : 2.720 |