2-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
| Internal ID | e4fb7dbb-1da0-4eb8-8dd7-c1f57154666c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C=C(C=C1O)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)C1=C(C=C(C=C1O)O)O |
| InChI | InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3 |
| InChI Key | ASABIRFQGVWRDC-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.50 |
| 125074-06-8 |
| 2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one |
| phlormethylbutanophenone |
| ACMC-1BWCC |
| AC1L9DNB |
| 1-Butanone,2-methyl-1-(2,4,6-trihydroxyphenyl)- |
| phlormethylbutyrophenone |
| (2-methylbutyryl)phloroglucinol |
| CHEMBL280353 |
| SCHEMBL3045939 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.03% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.90% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.17% | 94.73% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 82.79% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.65% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.67% | 96.12% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.66% | 96.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.83% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.70% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.34% | 94.45% |
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.
| Helichrysum zeyheri |
| Jatropha multifida |
| Phyllanthus emblica |
| PubChem | 442919 |
| LOTUS | LTS0218100 |
| wikiData | Q74417961 |