(1R,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one
| Internal ID | 22bda9b2-d2ba-4ccc-9fae-b66a1832685f |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (1R,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)C(=O)N4C3CCC=C4 |
| SMILES (Isomeric) | C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C(=O)N4[C@@H]3CCC=C4 |
| InChI | InChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h4,8,11-14H,1-3,5-7,9-10H2/t11-,12+,13-,14-/m1/s1 |
| InChI Key | OUUSQTVRZSKTBG-XJFOESAGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.35 g/mol |
| Exact Mass | 246.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r9s10r-715-diazatetracyclo77102701015heptadec-5-en-8-one.jpg "2D Structure of (1R,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-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 | 95.06% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.14% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.72% | 83.82% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.87% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 87.59% | 97.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.77% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.71% | 93.03% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.49% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.18% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.18% | 95.89% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.15% | 91.43% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.74% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.89% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.64% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.25% | 93.04% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.00% | 93.40% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.58% | 82.69% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.52% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.21% | 99.23% |
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.
| Genista monspessulana |
| PubChem | 5316461 |
| LOTUS | LTS0065817 |
| wikiData | Q105200451 |