2-[(3,5-Dihydroxyphenyl)methyl]-6-methylpyran-4-one
| Internal ID | ce38aba0-b22b-4678-93d6-86eb92ea60bc |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
| IUPAC Name | 2-[(3,5-dihydroxyphenyl)methyl]-6-methylpyran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H12O4/c1-8-2-10(14)7-13(17-8)5-9-3-11(15)6-12(16)4-9/h2-4,6-7,15-16H,5H2,1H3 |
| InChI Key | NRHPLXVYFGEACJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.23 g/mol |
| Exact Mass | 232.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 2-[(3,5-Dihydroxyphenyl)methyl]-6-methylpyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-35-dihydroxyphenylmethyl-6-methylpyran-4-one.jpg "2D Structure of 2-[(3,5-Dihydroxyphenyl)methyl]-6-methylpyran-4-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.40% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.90% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.49% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.62% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.39% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.85% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.59% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.71% | 96.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.28% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
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 | 72947236 |
| LOTUS | LTS0196494 |
| wikiData | Q105184561 |