| Phytochemical Name : Daurisoline |
| PCNDIDD0020 |
| Pubchem CID : 51106 |
| Molecular formula: C37H42N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)OC)OC |
Synonymes : Daurisoline|70553-76-3|O(sup 7)-Demethyldauricine|(R,R)-Daurisoline|(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol|CHEMBL2216904|D 610|(R-(R*,R*))-1,2,3,4-Tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol|7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-|Daruisoline|SCHEMBL24212114|DTXSID40220841|CHEBI:184038|HY-N0221|BDBM50403104|MFCD00221740|s9150|AKOS015897168|CCG-270233|CS-8095|NCGC00482986-03|AC-34009|AS-77876|LS-86188|Q-100785|(R-(R*,R*))-1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-iso quinolinol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.520 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : -0.230 |
| Log Po/w (MLOGP) : -1.140 |
| Log Po/w (SILICOS-IT) : -1.930 |
| Consensus Log Po/w : 0.610 |