1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-1-propanone
| Internal ID | 8b9bf69c-0a87-4f1d-b1dd-119e515e9413 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methylpropan-1-one |
| SMILES (Canonical) | CC1=C(C=C(C(=C1O)C(=O)C(C)C)O)OC |
| SMILES (Isomeric) | CC1=C(C=C(C(=C1O)C(=O)C(C)C)O)OC |
| InChI | InChI=1S/C12H16O4/c1-6(2)11(14)10-8(13)5-9(16-4)7(3)12(10)15/h5-6,13,15H,1-4H3 |
| InChI Key | OETVTZTZESSKCS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 | 94.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.36% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.09% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.06% | 99.15% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.63% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.56% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.82% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.82% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.45% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.06% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.62% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 82.39% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.50% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.03% | 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.
| Eucalyptus pulverulenta |
| PubChem | 129835676 |
| LOTUS | LTS0088598 |
| wikiData | Q105190545 |