Methyl fusarate
| Internal ID | 5269e2fc-359a-4194-9089-cc3a1a50c6c5 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridine-2-carboxylic acids > 5-alkyl-2-carboxypyrimidines |
| IUPAC Name | methyl 5-butylpyridine-2-carboxylate |
| SMILES (Canonical) | CCCCC1=CN=C(C=C1)C(=O)OC |
| SMILES (Isomeric) | CCCCC1=CN=C(C=C1)C(=O)OC |
| InChI | InChI=1S/C11H15NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h6-8H,3-5H2,1-2H3 |
| InChI Key | QHFSYCQAXCWCQO-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.24 g/mol |
| Exact Mass | 193.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 39.20 Ų |
| XlogP | 2.90 |
| fusaric acid methyl ester |
| methyl fusaric acid |
| Methyl 5-butylpyridine-2-carboxylate |
| 17072-92-3 |
| 2-Pyridinecarboxylic acid, 5-butyl-, methyl ester |
| SCHEMBL6724622 |
| DTXSID90455787 |
| 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 | 97.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.56% | 99.17% |
| CHEMBL240 | Q12809 | HERG | 94.11% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.68% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.24% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.44% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.53% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.47% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.47% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.29% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.81% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.91% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.87% | 96.90% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.70% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.63% | 100.00% |
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 | 11116895 |
| LOTUS | LTS0239137 |
| wikiData | Q77419868 |