| Phytochemical Name : Tembetarine |
| PCNDIDT0019 |
| Pubchem CID : 167718 |
| Molecular formula: C20H26NO4+ |
| Canonical SMILES : C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)C |
Synonymes : Tembetarine|18446-73-6|(S)-tembetarine|(+)-Tembetarine|6N63K45WMD|Isoquinolinium,1,2,3,4-tetrahydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-,(1S)-|(S)-(+)-tembetarine|UNII-6N63K45WMD|(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol|C20H26NO4|DTXSID70171579|CHEBI:134199|C20-H26-N-O4|C21491|(1S)-1,2,3,4-TETRAHYDRO-7-HYDROXY-1-((3-HYDROXY-4-METHOXYPHENYL)METHYL)-6-METHOXY-2,2-DIMETHYLISOQUINOLINIUM|(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-ol|ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-7-HYDROXY-1-((3-HYDROXY-4-METHOXYPHENYL)METHYL)-6-METHOXY-2,2-DIMETHYL-, (1S)-|Isoquinolinium, 1,2,3,4-tetrahydro-7-hydroxy-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2,2-dimethyl-, (S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.310 |
| Log Po/w (XLOGP3) : 3.030 |
| Log Po/w (WLOGP) : 2.330 |
| Log Po/w (MLOGP) : -1.710 |
| Log Po/w (SILICOS-IT) : 0.560 |
| Consensus Log Po/w : 0.780 |