| Phytochemical Name : Dihydrochelirubine |
| PCNDIDD0126 |
| Pubchem CID : 440589 |
| Molecular formula: C21H17NO5 |
| Canonical SMILES : CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
Synonymes : Dihydrochelirubine|28342-26-9|CHEBI:17789|13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene|5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine|Dihydrobocconine|C05194|SCHEMBL891981|CHEMBL518879|DTXSID00331503|HY-N10366|CS-0434734|Q3707626|13, 14-dihydro-5-methoxy-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.110 |
| Log Po/w (XLOGP3) : 2.240 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 2.950 |
| Consensus Log Po/w : 2.440 |