| Phytochemical Name : Lobelanidine |
| PCNDIDL0084 |
| Pubchem CID : 442646 |
| Molecular formula: C22H29NO2 |
| Canonical SMILES : CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O |
Synonymes : Lobelanidine|8,10-Diphenyllobelidiol|552-72-7|UNII-J3ZM7K5LNB|J3ZM7K5LNB|CHEBI:6507|CHEMBL122676|(1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol|8,10-Diphenylobelidiol|C10156|5-21-05-00294 (Beilstein Handbook Reference)|Lobelidiol, 8,10-diphenyl-|NSC 95097|BRN 5789266|AC1L9D5B|NSC-95097|LOBELANIDINE [MI]|SureCN893510|2,6-Piperidinediethanol, 1-methyl-alpha,alpha'-diphenyl-|2,6-Piperidinediethanol, alpha,alpha'-diphenyl-1-methyl-|SCHEMBL893510|DTXSID10970528|CHEBI:301571|AKOS040752639|Q27895158|(1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanol|(2S)-1-Methyl-2alpha-[(S)-beta-hydroxyphenethyl]-6alpha-[(R)-beta-hydroxyphenethyl]piperidine|2,6-PIPERIDINEDIETHANOL, 1-METHYL-.ALPHA.,.ALPHA.'-DIPHENYL-, (.ALPHA.R,.ALPHA.'S,2R,6S)-REL- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.650 |
| Log Po/w (XLOGP3) : 3.640 |
| Log Po/w (WLOGP) : 3.060 |
| Log Po/w (MLOGP) : 3.030 |
| Log Po/w (SILICOS-IT) : 3.690 |
| Consensus Log Po/w : 3.410 |