3,3-Dimethyl-5-(3,3,3-trichloro-2-methylpropyl)pyrrolidine-2,4-dione
| Internal ID | e4dcb02e-3afb-4e4f-ad8e-afc0049b2e5c |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-3-ones |
| IUPAC Name | 3,3-dimethyl-5-(3,3,3-trichloro-2-methylpropyl)pyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H14Cl3NO2/c1-5(10(11,12)13)4-6-7(15)9(2,3)8(16)14-6/h5-6H,4H2,1-3H3,(H,14,16) |
| InChI Key | FGAIQUBOQVNVPA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H14Cl3NO2 |
| Molecular Weight | 286.60 g/mol |
| Exact Mass | 285.009012 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.70% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.16% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.14% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.27% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.19% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.22% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.67% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.88% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.55% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.36% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.96% | 85.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.82% | 96.47% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.98% | 97.28% |
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 | 73837849 |
| LOTUS | LTS0038718 |
| wikiData | Q104994772 |