[5-(Hydroxymethyl)-4-methoxy-2-oxo-6-prop-1-enylpyran-3-yl]methyl acetate
| Internal ID | 57b53c1f-b92c-49bf-8bed-163abe93c447 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | [5-(hydroxymethyl)-4-methoxy-2-oxo-6-prop-1-enylpyran-3-yl]methyl acetate |
| SMILES (Canonical) | CC=CC1=C(C(=C(C(=O)O1)COC(=O)C)OC)CO |
| SMILES (Isomeric) | CC=CC1=C(C(=C(C(=O)O1)COC(=O)C)OC)CO |
| InChI | InChI=1S/C13H16O6/c1-4-5-11-9(6-14)12(17-3)10(13(16)19-11)7-18-8(2)15/h4-5,14H,6-7H2,1-3H3 |
| InChI Key | YAFCNEMAEHLWHN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.26 g/mol |
| Exact Mass | 268.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of [5-(Hydroxymethyl)-4-methoxy-2-oxo-6-prop-1-enylpyran-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxymethyl-4-methoxy-2-oxo-6-prop-1-enylpyran-3-ylmethyl-acetate.jpg "2D Structure of [5-(Hydroxymethyl)-4-methoxy-2-oxo-6-prop-1-enylpyran-3-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.98% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.97% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.19% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.80% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.42% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.06% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.47% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.80% | 91.19% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.54% | 86.67% |
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 | 162909313 |
| LOTUS | LTS0044042 |
| wikiData | Q104201508 |