(s)-3-(s-Butyl)-6-isopropylpyrazin-2(1h)-one
| Internal ID | b65ff530-db37-424a-8f6e-7db8a0abb2b9 |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrazines |
| IUPAC Name | 3-[(2S)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one |
| SMILES (Canonical) | CCC(C)C1=NC=C(NC1=O)C(C)C |
| SMILES (Isomeric) | CC[C@H](C)C1=NC=C(NC1=O)C(C)C |
| InChI | InChI=1S/C11H18N2O/c1-5-8(4)10-11(14)13-9(6-12-10)7(2)3/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m0/s1 |
| InChI Key | KZTSFJGGBVHWIB-QMMMGPOBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H18N2O |
| Molecular Weight | 194.27 g/mol |
| Exact Mass | 194.141913202 g/mol |
| Topological Polar Surface Area (TPSA) | 41.50 Ų |
| XlogP | 1.80 |
| (S)-3-(sec-butyl)-6-isopropylpyrazin-2(1H)-one |
| 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 | 96.10% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.61% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.46% | 98.95% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 90.99% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.25% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.72% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.18% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.46% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.66% | 88.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.40% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.34% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.10% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.16% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.01% | 95.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.55% | 97.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.01% | 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.
| Simaba orinocensis |
| PubChem | 132278707 |
| LOTUS | LTS0137100 |
| wikiData | Q104403675 |