(1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione
| Internal ID | 6924805c-2d12-4f77-8897-d7582ca741e9 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione |
| SMILES (Canonical) | C1CCN2C(C1)C3CC(C2=O)C4CCCC(=O)N4C3 |
| SMILES (Isomeric) | C1CCN2[C@H](C1)[C@@H]3C[C@H](C2=O)[C@@H]4CCCC(=O)N4C3 |
| InChI | InChI=1S/C15H22N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13H,1-9H2/t10-,11+,12-,13+/m1/s1 |
| InChI Key | HBYSMHYHSFSCED-XQHKEYJVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.35 g/mol |
| Exact Mass | 262.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s9r10r-715-diazatetracyclo77102701015heptadecane-616-dione.jpg "2D Structure of (1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6,16-dione")
| 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 | 96.77% | 91.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.74% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.57% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.42% | 97.05% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.24% | 94.78% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.21% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.72% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.15% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.84% | 94.66% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.57% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.51% | 90.24% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.45% | 95.51% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 84.35% | 97.98% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.15% | 93.03% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.66% | 95.58% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.39% | 95.27% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.30% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.09% | 93.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.27% | 95.62% |
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.
| Sophora chrysophylla |
| PubChem | 163032815 |
| LOTUS | LTS0268539 |
| wikiData | Q105025548 |