5-butyl-4-methoxy-6-methyl-2H-pyran-2-one
| Internal ID | 2f59adbd-e97c-4a93-a924-71c1ae6e404a |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 5-butyl-4-methoxy-6-methylpyran-2-one |
| SMILES (Canonical) | CCCCC1=C(OC(=O)C=C1OC)C |
| SMILES (Isomeric) | CCCCC1=C(OC(=O)C=C1OC)C |
| InChI | InChI=1S/C11H16O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h7H,4-6H2,1-3H3 |
| InChI Key | IBFIZVORYAZWLY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.24 g/mol |
| Exact Mass | 196.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.30 |
| CHEMBL4209628 |
| AKOS040739403 |
| 5-butyl-4-methoxy-6-methyl-2H-pyran-2-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 | 95.76% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.96% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.63% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.61% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.14% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.76% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.43% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.36% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.51% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.36% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.17% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.10% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.22% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.83% | 98.59% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.11% | 93.18% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.10% | 94.80% |
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 | 102367319 |
| LOTUS | LTS0066426 |
| wikiData | Q75056815 |