11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
| Internal ID | 5f12d3b6-0eea-45c6-9a7e-911487776163 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one |
| SMILES (Canonical) | C=CCCN1CC2CC(C1)C3CC(=O)C=CN3C2 |
| SMILES (Isomeric) | C=CCCN1CC2CC(C1)C3CC(=O)C=CN3C2 |
| InChI | InChI=1S/C15H22N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h2,4,6,12-13,15H,1,3,5,7-11H2 |
| InChI Key | QEFLZWOIQICVRH-UHFFFAOYSA-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 11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/11-but-3-enyl-711-diazatricyclo731027tridec-5-en-4-one.jpg "2D Structure of 11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.94% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 86.50% | 89.76% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.44% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.58% | 94.45% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.43% | 95.88% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.59% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.20% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.41% | 98.95% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.72% | 97.63% |
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.
| Lupinus albus subsp. albus |
| Pinus hartwegii |
| PubChem | 14377898 |
| LOTUS | LTS0122011 |
| wikiData | Q105219162 |