Lobeline, (+)-
| Internal ID | f37d5a34-83ef-4216-bae6-1bbbaca5a415 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 2-[(2S,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone |
| SMILES (Canonical) | CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O |
| SMILES (Isomeric) | CN1[C@H](CCC[C@H]1CC(=O)C2=CC=CC=C2)C[C@H](C3=CC=CC=C3)O |
| InChI | InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1 |
| InChI Key | MXYUKLILVYORSK-QHAWAJNXSA-N |
| Popularity | 494 references in papers |
| Molecular Formula | C22H27NO2 |
| Molecular Weight | 337.50 g/mol |
| Exact Mass | 337.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.80 |
| Lobelidine |
| (+/-)-Lobeline |
| Lobeline, (+/-)- |
| (+)-Lobeline |
| Lobeline (+/-)-form [MI] |
| lobeline |
| UNII-73BJ3LA259 |
| 246018-80-4 |
| 73BJ3LA259 |
| 74SSN124VK |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 |
5.012 nM 4 nM |
Ki Ki |
via Super-PRED
via Super-PRED |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
631 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.62% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.70% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.72% | 93.81% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.78% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.96% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.56% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.02% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.57% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Hippobroma longiflora |
| Lobelia berlandieri |
| Lobelia inflata |
| PubChem | 5288703 |
| LOTUS | LTS0115077 |
| wikiData | Q104400330 |