| Phytochemical Name : Lobelanine |
| PCNDIDL0085 |
| Pubchem CID : 442647 |
| Molecular formula: C22H25NO2 |
| Canonical SMILES : CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 |
Synonymes : Lobelanine|579-21-5|UNII-4XWB84090T|4XWB84090T|2,2'-(1-Methyl-2,6-piperidinediyl)diacetophenon|2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone|CHEBI:6508|CHEMBL331161|Ethanone, 2,2'-(1-methyl-2,6-piperidinediyl)bis(1-phenyl-, cis-|2-[(2R,6S)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethanone|AC1L9D5E|Lobelanin|cis-Lobelanin|Ethanone, 2,2'-(1-methyl-2,6-piperidinediyl)bis[1-phenyl-, cis-|1-Methyl-2,6-bisphenacylpiperidine|MESO-LOBELANINE|LOBELANINE [MI]|Compound TCFN00444|SureCN3448367|SCHEMBL3448367|8,10-DIPHENYLLOBELIDIONE|DTXSID10206617|HY-N8505|AKOS040740429|MS-25080|CS-0145235|F82796|A831673|Q15426225|ETHANONE, 2,2'-(1-METHYL-2,6-PIPERIDINEDIYL)BIS(1-PHENYL-, (2R,6S)-REL- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 3.870 |
| Log Po/w (WLOGP) : 4.000 |
| Log Po/w (MLOGP) : 2.870 |
| Log Po/w (SILICOS-IT) : 4.340 |
| Consensus Log Po/w : 3.650 |