(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
| Internal ID | 43c19f3e-01e1-464e-89d9-ee626f1331e3 |
| Taxonomy | Organoheterocyclic compounds > Azepines |
| IUPAC Name | (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H15NO/c1-4-10(3)7-5-6-8(2)9(12)11-10/h4,6H,1,5,7H2,2-3H3,(H,11,12)/t10-/m1/s1 |
| InChI Key | SVOHYKNFWLSAJV-SNVBAGLBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.23 g/mol |
| Exact Mass | 165.115364102 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.89% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.27% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.11% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.04% | 85.30% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.54% | 95.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.89% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.05% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.04% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.93% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.83% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.70% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.40% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.18% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 163189245 |
| LOTUS | LTS0217797 |
| wikiData | Q105262287 |