3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone
| Internal ID | f0c6c9e1-a4f1-4d55-847f-33b1459134ce |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrazines |
| IUPAC Name | 3,6-di(butan-2-yl)-1H-pyrazin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H20N2O/c1-5-8(3)10-7-13-11(9(4)6-2)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15) |
| InChI Key | JODWJXBQLSMNHA-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C12H20N2O |
| Molecular Weight | 208.30 g/mol |
| Exact Mass | 208.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 41.50 Ų |
| XlogP | 2.20 |
| 3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone |
| P6XZ8A636O |
| 3,6-Di-sec-butylpyrazin-2(1H)-one |
| 2(1H)-Pyrazinone, 3,6-di-sec-butyl- |
| starbld0007357 |
| UNII-P6XZ8A636O |
| DTXSID00436320 |
| 3-hydroxy-2,5-di-s-butylpyrazine |
| 3,6-di-s-butylpyrazin-2(1h)-one |
| 3,6-Di(butan-2-yl)pyrazin-2(1H)-one |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.38% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.48% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.04% | 98.59% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.94% | 89.34% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 88.63% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.29% | 94.73% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.94% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.00% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.46% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.21% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.74% | 94.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.08% | 97.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.57% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.14% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 10171340 |
| LOTUS | LTS0238905 |
| wikiData | Q27286301 |