6-[(E,4S)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
| Internal ID | fc01df50-dd5d-402a-b4a9-bb9d5d4f7f36 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[(E,4S)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one |
| SMILES (Canonical) | CC1=C(C=C(OC1=O)C(=CC(C)O)C)OC |
| SMILES (Isomeric) | CC1=C(C=C(OC1=O)/C(=C/[C@H](C)O)/C)OC |
| InChI | InChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3/b7-5+/t8-/m0/s1 |
| InChI Key | FXQRSXWMFRVMOS-IVGLGHLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 6-[(E,4S)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-e4s-4-hydroxypent-2-en-2-yl-4-methoxy-3-methylpyran-2-one.jpg "2D Structure of 6-[(E,4S)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.37% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.90% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.93% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.01% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.72% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.50% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.42% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.67% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.66% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.60% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.61% | 90.20% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.91% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.18% | 90.71% |
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.
| Mentha pulegium |
| PubChem | 42639813 |
| LOTUS | LTS0170261 |
| wikiData | Q105004152 |