(1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-one
| Internal ID | 782a5c8d-1d07-44ae-8278-d215fd44f945 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines > Quinolizidinones |
| IUPAC Name | (1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-one |
| SMILES (Canonical) | C=CCCN1CC2CC(C1)C(=O)N3C2CCCC3 |
| SMILES (Isomeric) | C=CCCN1C[C@H]2C[C@@H](C1)C(=O)N3[C@@H]2CCCC3 |
| InChI | InChI=1S/C15H24N2O/c1-2-3-7-16-10-12-9-13(11-16)15(18)17-8-5-4-6-14(12)17/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1 |
| InChI Key | OVDXBBGESPZTTF-HZSPNIEDSA-N |
| Popularity | 2 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 | 1.90 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r9s-11-but-3-enyl-711-diazatricyclo731027tridecan-8-one.jpg "2D Structure of (1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.01% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.25% | 93.40% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.01% | 97.05% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.56% | 83.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.15% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 91.57% | 91.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.17% | 93.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.91% | 94.78% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.80% | 95.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.62% | 96.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.07% | 94.66% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 87.83% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.61% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.60% | 82.69% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.33% | 95.88% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.09% | 92.12% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.08% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.83% | 90.08% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.17% | 99.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.99% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.37% | 90.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.23% | 98.33% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.89% | 83.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.65% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.20% | 86.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.17% | 92.50% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.91% | 96.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.84% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.49% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.94% | 96.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.52% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.46% | 93.04% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.14% | 92.97% |
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 | 138978148 |
| LOTUS | LTS0151672 |
| wikiData | Q105200680 |