| Phytochemical Name : Laudanine |
| PCNDIDL0017 |
| Pubchem CID : 92732 |
| Molecular formula: C20H25NO4 |
| Canonical SMILES : CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC |
Synonymes : Laudanine|dl-laudanidine|85-64-3|UNII-994445H0VB|CHEBI:76103|EINECS 201-620-6|994445H0VB|5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol|Laudanin|laudanin-|DL-laudanosoline|rac-laudanosoline|DL-Laudanine|(R)-Laudanidine|2-Methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenol|2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOL|(RS)-laudanosoline|racemic laudanosoline|(+-)-laudanosoline|COCLANOLINE B|LAUDANINE [MI]|(+/-)-LAUDANINE|(+/-)-LAUDANIDINE|MLS000574863|SCHEMBL679496|CHEMBL1425007|CHEBI:76106|LAUDANIDINE, (+/-)-|DTXSID00871570|HMS2216O15|HMS3344M15|AKOS000278035|NCGC00247608-01|SMR000156286|FT-0670744|C17592|Q27893877|1,2,3,4-Tetrahydro-1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methylisoquinoline|rac-5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol|(+-)-2-Methoxy-5-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl)methyl]phenol|PHENOL, 2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)- |
| 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 |