5-Butyl-6-(hydroxymethyl)-4-methoxy-2h-pyran-2-one
| Internal ID | 9bbe017f-a3e5-4afd-a272-32f817e6ce89 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 5-butyl-6-(hydroxymethyl)-4-methoxypyran-2-one |
| SMILES (Canonical) | CCCCC1=C(OC(=O)C=C1OC)CO |
| SMILES (Isomeric) | CCCCC1=C(OC(=O)C=C1OC)CO |
| InChI | InChI=1S/C11H16O4/c1-3-4-5-8-9(14-2)6-11(13)15-10(8)7-12/h6,12H,3-5,7H2,1-2H3 |
| InChI Key | CECRFCGIVHHWSF-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.24 g/mol |
| Exact Mass | 212.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.00 |
| Compound NP-007995 |
| CHEMBL4214542 |
| AKOS040739396 |
| 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 | 96.20% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.11% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.10% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.03% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.95% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.30% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.60% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.81% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.19% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.19% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.64% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.99% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.31% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.24% | 92.08% |
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 | 102367318 |
| LOTUS | LTS0083126 |
| wikiData | Q77383636 |