6-[2-(2,4-Dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one
| Internal ID | 9c4e42c2-3c64-4133-8468-bc8715308725 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxypyran-2-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)CC2=CC(=CC(=O)O2)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)CC2=CC(=CC(=O)O2)O)O)O |
| InChI | InChI=1S/C14H12O6/c1-7-2-8(15)4-11(17)14(7)12(18)6-10-3-9(16)5-13(19)20-10/h2-5,15-17H,6H2,1H3 |
| InChI Key | JIBVOQAUTOPGPH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H12O6 |
| Molecular Weight | 276.24 g/mol |
| Exact Mass | 276.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.60 |
| 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one |
| 1159918-23-6 |
| 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-2H-pyran-2-one |
| CHEBI:74295 |
| Q27144585 |
| 6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone |
![2D Structure of 6-[2-(2,4-Dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-24-dihydroxy-6-methylphenyl-2-oxoethyl-4-hydroxy-pyran-2-one.jpg "2D Structure of 6-[2-(2,4-Dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.55% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.08% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.34% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.95% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.52% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.29% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.19% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.68% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 81.83% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.75% | 95.50% |
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 | 54750155 |
| LOTUS | LTS0071140 |
| wikiData | Q27144585 |