4-methoxy-3-methyl-6-[(E,4R)-4-methyl-5-oxohex-2-en-2-yl]pyran-2-one
| Internal ID | f9d9ec14-8c07-449f-b3ed-fa7b91ab8b57 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 4-methoxy-3-methyl-6-[(E,4R)-4-methyl-5-oxohex-2-en-2-yl]pyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18O4/c1-8(11(4)15)6-9(2)12-7-13(17-5)10(3)14(16)18-12/h6-8H,1-5H3/b9-6+/t8-/m1/s1 |
| InChI Key | MOPXMSJFYITBHO-GTUWVTDSSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-methoxy-3-methyl-6-[(E,4R)-4-methyl-5-oxohex-2-en-2-yl]pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-3-methyl-6-e4r-4-methyl-5-oxohex-2-en-2-ylpyran-2-one.jpg "2D Structure of 4-methoxy-3-methyl-6-[(E,4R)-4-methyl-5-oxohex-2-en-2-yl]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 | 94.13% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.51% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.62% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.34% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.64% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.56% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.32% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.18% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.45% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.75% | 91.07% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.52% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.46% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.63% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.29% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.26% | 97.21% |
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 | 163186119 |
| LOTUS | LTS0082598 |
| wikiData | Q105169070 |