5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
| Internal ID | 409e5f92-5ca5-4a7e-9f63-562a8ea38f37 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H12O5/c1-3-4-9-7(5-12)10(15-2)8(6-13)11(14)16-9/h3-5,13H,6H2,1-2H3/b4-3+ |
| InChI Key | GWOSIAKMGPKVAC-ONEGZZNKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.21 g/mol |
| Exact Mass | 224.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 0.30 |
| 2H-Pyran-5-carboxaldehyde, 3-(hydroxymethyl)-4-methoxy-2-oxo-6-(1-propenyl)- |
| 162857-55-8 |
![2D Structure of 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/2h-pyran-5-carboxaldehyde-3-hydroxymethyl-4-methoxy-2-oxo-6-1-propenyl-.jpg "2D Structure of 5-(hydroxymethyl)-4-methoxy-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.64% | 98.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.36% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.98% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.11% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.08% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.37% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.33% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.25% | 86.33% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.96% | 86.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.90% | 98.95% |
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 | 6442270 |
| LOTUS | LTS0077120 |
| wikiData | Q105022614 |