(1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
| Internal ID | c2dbd046-3023-4df6-83da-e48c9257ef48 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)C(=O)N4C3CCCC4 |
| SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)C(=O)N4[C@@H]3CCCC4 |
| InChI | InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12-,13+,14-/m0/s1 |
| InChI Key | YQMWQSMYVPLYDI-FQUUOJAGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H24N2O |
| Molecular Weight | 248.36 g/mol |
| Exact Mass | 248.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.70 |
| CHEMBL509343 |
| (1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one |
![2D Structure of (1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r9s10s-715-diazatetracyclo77102701015heptadecan-8-one.jpg "2D Structure of (1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 97.15% | 91.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.59% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.70% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.00% | 96.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.89% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.12% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.70% | 95.56% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 84.52% | 97.98% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.28% | 97.05% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.02% | 91.43% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.63% | 95.51% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.03% | 98.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.51% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.77% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.51% | 89.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.31% | 96.43% |
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.
| Argyrolobium velutinum |
| Genista monspessulana |
| Lupinus latifolius |
| Lupinus mexicanus |
| Sophora davidii |
| Virgilia divaricata |
| PubChem | 12306750 |
| LOTUS | LTS0026722 |
| wikiData | Q105352319 |