| Phytochemical Name : Berberastine |
| PCNDIDB0046 |
| Pubchem CID : 442180 |
| Molecular formula: C20H18NO5+ |
| Canonical SMILES : COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C(C3)O)OCO5)OC |
Synonymes : Berberastine|2435-73-6|C09360|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-5-hydroxy-9,10-dimethoxy-|16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol|AC1L9CE2|CHEBI:3065|C20H18NO5|DTXSID40947203|C20-H18-N-O5|Q27105935|5-Hydroxy-9,10-dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.360 |
| Log Po/w (XLOGP3) : 2.510 |
| Log Po/w (WLOGP) : 2.260 |
| Log Po/w (MLOGP) : 1.380 |
| Log Po/w (SILICOS-IT) : 2.830 |
| Consensus Log Po/w : 1.720 |