2-Acetyl-4-isopropylpyridine
| Internal ID | f9a1a6b2-8ade-4587-967d-4fb229581c98 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 1-(4-propan-2-ylpyridin-2-yl)ethanone |
| SMILES (Canonical) | CC(C)C1=CC(=NC=C1)C(=O)C |
| SMILES (Isomeric) | CC(C)C1=CC(=NC=C1)C(=O)C |
| InChI | InChI=1S/C10H13NO/c1-7(2)9-4-5-11-10(6-9)8(3)12/h4-7H,1-3H3 |
| InChI Key | BWJDKYNJXZATRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.22 g/mol |
| Exact Mass | 163.099714038 g/mol |
| Topological Polar Surface Area (TPSA) | 30.00 Ų |
| XlogP | 2.00 |
| 1-(4-Isopropylpyridin-2-yl)ethanone |
| 2-acetyl-4-isopropylpyridine |
| 1-(4-propan-2-ylpyridin-2-yl)ethanone |
| FEMA No. 4638 |
| JRF96H7XWL |
| (4-(1-Methylethyl)-2-pyridinyl)ethanone |
| Ethanone, 1-(4-(1-methylethyl)-2-pyridinyl)- |
| Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]- |
| Ethanone, 1-[4-(1-methylethyl)-2-pyridinyl]- (9CI) |
| UNII-JRF96H7XWL |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.14% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.05% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.16% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.00% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.36% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.23% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.98% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.37% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.86% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.00% | 93.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.46% | 86.33% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.73% | 95.71% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.14% | 81.11% |
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.
| Mentha arvensis |
| Planchonia careya |
| Salvia bucharica |
| Salvia moorcroftiana |
| PubChem | 529345 |
| LOTUS | LTS0127121 |
| wikiData | Q105139414 |