1-(3-Hydroxy-4-methylphenyl)ethanone
| Internal ID | 113e645c-f322-485e-acc2-c81eccb2d06d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(3-hydroxy-4-methylphenyl)ethanone |
| SMILES (Canonical) | CC1=C(C=C(C=C1)C(=O)C)O |
| SMILES (Isomeric) | CC1=C(C=C(C=C1)C(=O)C)O |
| InChI | InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,11H,1-2H3 |
| InChI Key | MFJCFSDSJMSMQK-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.17 g/mol |
| Exact Mass | 150.068079557 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.70 |
| 33414-49-2 |
| 3'-HYDROXY-4'-METHYLACETOPHENONE |
| 3-hydroxy-4-methylacetophenone |
| Ethanone, 1-(3-hydroxy-4-methylphenyl)- |
| 5-acetyl-2-methylphenol |
| 1-(3-HYDROXY-4-METHYLPHENYL)ETHAN-1-ONE |
| SCHEMBL1550819 |
| DTXSID60484084 |
| MFJCFSDSJMSMQK-UHFFFAOYSA-N |
| CL8658 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.02% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.16% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.55% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.38% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.54% | 97.21% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.48% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.98% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.87% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
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.
| Boltonia asteroides |
| PubChem | 12282261 |
| LOTUS | LTS0143577 |
| wikiData | Q82322100 |