(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-1-(4-methylfuran-2-yl)propan-1-one
| Internal ID | 2d5fabd2-7d8a-4450-9737-ab6819fe619e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-1-(4-methylfuran-2-yl)propan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O3/c1-5-15(4)7-6-12(18-15)11(3)14(16)13-8-10(2)9-17-13/h5,8-9,11-12H,1,6-7H2,2-4H3/t11-,12+,15+/m1/s1 |
| InChI Key | DJFSWRNRUGTHCI-XUJVJEKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-1-(4-methylfuran-2-yl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2s5r-5-ethenyl-5-methyloxolan-2-yl-1-4-methylfuran-2-ylpropan-1-one.jpg "2D Structure of (2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-1-(4-methylfuran-2-yl)propan-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.42% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.43% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.99% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.29% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.29% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.71% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.59% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.19% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.83% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.32% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 162904749 |
| LOTUS | LTS0212364 |
| wikiData | Q104982134 |