| Phytochemical Name : Dauricine |
| PCNDIDD0017 |
| Pubchem CID : 73400 |
| Molecular formula: C38H44N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC |
Synonymes : Dauricine|524-17-4|NSC 36413|UNII-8QTO90G5W5|8QTO90G5W5|CHEBI:4331|C38H44N2O6|4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol|Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,R*))-|NSC-36413|DAURICINE [MI]|6,6'-Di-O-methyldauricoline|CHEMBL442717|SCHEMBL2233953|DTXSID90966808|4-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)-2-(4-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)PHENOL|HY-N0220|BDBM50370415|s9295|AKOS037514611|CCG-270271|4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenol|LS-105139|CS-0008258|FT-0624458|A14718|C09419|Q5228100|Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.890 |
| Log Po/w (XLOGP3) : -0.090 |
| Log Po/w (WLOGP) : -0.720 |
| Log Po/w (MLOGP) : -2.690 |
| Log Po/w (SILICOS-IT) : -1.040 |
| Consensus Log Po/w : -0.530 |