4-Bromo-5-(bromomethylidene)-3-(2-propyloxiran-2-yl)furan-2-one
| Internal ID | 2ec88af5-9a05-40a9-a9e4-97d18fdcaeb0 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 4-bromo-5-(bromomethylidene)-3-(2-propyloxiran-2-yl)furan-2-one |
| SMILES (Canonical) | CCCC1(CO1)C2=C(C(=CBr)OC2=O)Br |
| SMILES (Isomeric) | CCCC1(CO1)C2=C(C(=CBr)OC2=O)Br |
| InChI | InChI=1S/C10H10Br2O3/c1-2-3-10(5-14-10)7-8(12)6(4-11)15-9(7)13/h4H,2-3,5H2,1H3 |
| InChI Key | UEQYYHOGFDYYGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H10Br2O3 |
| Molecular Weight | 337.99 g/mol |
| Exact Mass | 337.89762 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.01% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.24% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.68% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.79% | 93.04% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.97% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.75% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.18% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.46% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.01% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162801113 |
| LOTUS | LTS0133476 |
| wikiData | Q105271076 |