| Phytochemical Name : Thalifendine |
| PCNDIDT0043 |
| Pubchem CID : 3084288 |
| Molecular formula: C19H16NO4+ |
| Canonical SMILES : COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O |
Synonymes : Thalifendine|18207-71-1|THALIDENDINE|Thalifendin; Thaliphendine|Benzo(g)-1,3-benzodioxolo(5,6-alpha)quinolizinium, 5,6-dihydro-10-hydroxy-9-methoxy-|16-methoxy-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-17-ol|Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-10-hydroxy-9-methoxy-|CHEMBL1187148|SCHEMBL13186063|DTXSID60171240|BDBM50252429|AKOS040735521|E89054 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.460 |
| Log Po/w (XLOGP3) : 3.290 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 1.960 |
| Log Po/w (SILICOS-IT) : 3.210 |
| Consensus Log Po/w : 2.160 |