(4aR,5R,6R,7S,8aR)-1-methyl-5,7-diphenyl-6-(2,3,4,5-tetrahydropyridin-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
| Internal ID | ebf05d8c-68e5-48aa-ba8c-54cbb9cf9da3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
| IUPAC Name | (4aR,5R,6R,7S,8aR)-1-methyl-5,7-diphenyl-6-(2,3,4,5-tetrahydropyridin-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline |
| SMILES (Canonical) | CN1CCCC2C1CC(C(C2C3=CC=CC=C3)C4=NCCCC4)C5=CC=CC=C5 |
| SMILES (Isomeric) | CN1CCC[C@H]2[C@H]1C[C@@H]([C@H]([C@@H]2C3=CC=CC=C3)C4=NCCCC4)C5=CC=CC=C5 |
| InChI | InChI=1S/C27H34N2/c1-29-18-10-15-22-25(29)19-23(20-11-4-2-5-12-20)27(24-16-8-9-17-28-24)26(22)21-13-6-3-7-14-21/h2-7,11-14,22-23,25-27H,8-10,15-19H2,1H3/t22-,23+,25+,26+,27-/m0/s1 |
| InChI Key | MVIXAPHJOKOOEU-OFNXNBMYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34N2 |
| Molecular Weight | 386.60 g/mol |
| Exact Mass | 386.272199093 g/mol |
| Topological Polar Surface Area (TPSA) | 15.60 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.41% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.97% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.47% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.13% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.90% | 90.71% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 85.16% | 91.43% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.23% | 96.25% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 82.02% | 81.29% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.05% | 95.58% |
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.
| Lobelia cardinalis |
| PubChem | 11914139 |
| LOTUS | LTS0192209 |
| wikiData | Q105173064 |