| Phytochemical Name : (S)-Laudanine |
| PCNDIDOT0257 |
| Pubchem CID : 821396 |
| Molecular formula: C20H25NO4 |
| Canonical SMILES : CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC |
Synonymes : (S)-Laudanine|L-(+)-Laudanidine|(+)-Laudanidine|3122-95-0|Laudanine, (+)-|1alphaH-Laudanidine|(+)-laudanine|UNII-347215J9V9|5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol|347215J9V9|CHEBI:76101|Phenol, 2-methoxy-5-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-|5-[((1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol|5-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol|1.ALPHA.H-LAUDANIDINE|CHEMBL251625|SCHEMBL15696580|DTXSID10356308|Phenol, 2-methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-, (S)-|C20712|Q27145751|2-Methoxy-5-[[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolin)-1alpha-yl]methyl]phenol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.480 |
| Log Po/w (XLOGP3) : 3.340 |
| Log Po/w (WLOGP) : 2.480 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 3.460 |
| Consensus Log Po/w : 2.950 |