| Phytochemical Name : Worenine |
| PCNDIDW0014 |
| Pubchem CID : 20055073 |
| Molecular formula: C20H16NO4+ |
| Canonical SMILES : CC1=C2C3=CC4=C(C=C3CC[N+]2=CC5=CC6=C(C=C15)OCO6)OCO4 |
Synonymes : Worenine|38763-29-0|Worenine ion|Worenine cation|Worenine [MI]|Worenin|UNII-STF4A6F4EH|STF4A6F4EH|5,6-Dihydro-14-methylbis(1,3)benzodioxolo(5,6-a:5,6-g)quinolizinium|Bis(1,3)benzodioxolo(5,6-a:5',6'-g)quinolizinium, 5,6-dihydro-14-methyl-|24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene|Bis[1,3]benzodioxolo[5,6-a:5',6'-g]quinolizinium, 5,6-dihydro-14-methyl-|SCHEMBL2584351|CHEBI:80913|HY-N1935|AKOS030573603|AC-34325|CS-0018247|FT-0701381|C17083|Q27151413 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.140 |
| Log Po/w (XLOGP3) : 3.850 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 2.600 |
| Log Po/w (SILICOS-IT) : 4.020 |
| Consensus Log Po/w : 2.690 |