| Phytochemical Name : Nitidine |
| PCNDIDN0061 |
| Pubchem CID : 4501 |
| Molecular formula: C21H18NO4+ |
| Canonical SMILES : C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
Synonymes : Nitidine|6872-57-7|(1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-|CHEBI:7578|2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium|NCIMech_000542|Neuro_000081|[1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-|UNII-933301178Z|933301178Z|nitidine cation|AC1L1IB4|NITIDIN|NITIDINE ION|CHEMBL176008|SCHEMBL8014101|DTXSID60218846|BDBM50017566|CCG-35985|AKOS015904022|NCGC00482764-03|AC-34413|NCI60_000995|FT-0686666|C09595|E80662|Q15425772|[1,3]Benzodioxolo[5,6-c]phenanthridinium,2,3-dimethoxy-12-methyl-|2,3-Dimethoxy-12-methyl-9H-phenanthridino[4',3'-2,1]benzo[4,5-d]1,3-dioxolane |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.160 |
| Log Po/w (XLOGP3) : 4.580 |
| Log Po/w (WLOGP) : 3.720 |
| Log Po/w (MLOGP) : 2.530 |
| Log Po/w (SILICOS-IT) : 4.080 |
| Consensus Log Po/w : 2.950 |