11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
| Internal ID | ccfcaf06-60cd-4481-aa67-1dc7968b1bf9 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | 11-ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| SMILES (Canonical) | CCN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | CCN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C13H18N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,2,6-9H2,1H3 |
| InChI Key | KBLPVTVCSMTFDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.29 g/mol |
| Exact Mass | 218.141913202 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/11-ethyl-711-diazatricyclo731027trideca-24-dien-6-one.jpg "2D Structure of 11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.15% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.23% | 97.09% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 90.24% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.44% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.25% | 95.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.91% | 93.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.92% | 82.69% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.82% | 96.25% |
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 koreensis |
| PubChem | 73291538 |
| LOTUS | LTS0033248 |
| wikiData | Q105138322 |