6-But-2-en-2-yl-3-(hydroxymethyl)-4-methoxypyran-2-one
| Internal ID | 075772d9-3a77-44fe-8ca8-966768e08590 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-but-2-en-2-yl-3-(hydroxymethyl)-4-methoxypyran-2-one |
| SMILES (Canonical) | CC=C(C)C1=CC(=C(C(=O)O1)CO)OC |
| SMILES (Isomeric) | CC=C(C)C1=CC(=C(C(=O)O1)CO)OC |
| InChI | InChI=1S/C11H14O4/c1-4-7(2)9-5-10(14-3)8(6-12)11(13)15-9/h4-5,12H,6H2,1-3H3 |
| InChI Key | WLPQYAGDMJKPTN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.06% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.02% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.73% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.50% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.40% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.26% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.40% | 94.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.29% | 86.67% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.20% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.96% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.56% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.33% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.15% | 90.20% |
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 | 162814598 |
| LOTUS | LTS0063311 |
| wikiData | Q104200354 |