2-Ethyl-6-[1-(2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl)ethyl]-3,5-dimethylpyran-4-one
| Internal ID | ec15de43-6ff2-4219-ac3d-2904a18347b8 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 2-ethyl-6-[1-(2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl)ethyl]-3,5-dimethylpyran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O4/c1-8-15-10(3)17(21)12(5)19(23-15)14(7)20-13(6)18(22)11(4)16(9-2)24-20/h10,14-15H,8-9H2,1-7H3 |
| InChI Key | OEORVMFHSLFRIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 2-Ethyl-6-[1-(2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl)ethyl]-3,5-dimethylpyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-ethyl-6-1-2-ethyl-35-dimethyl-4-oxo-23-dihydropyran-6-ylethyl-35-dimethylpyran-4-one.jpg "2D Structure of 2-Ethyl-6-[1-(2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl)ethyl]-3,5-dimethylpyran-4-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 | 91.44% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.24% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.39% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.64% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.34% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.56% | 90.08% |
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 | 14445368 |
| LOTUS | LTS0050187 |
| wikiData | Q105190436 |