4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid
| Internal ID | 8fb8fa97-201b-48ca-bd13-3db4c193bcba |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Aspartic acid and derivatives |
| IUPAC Name | 4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H20N2O6/c1-2-3-8-26-16(22)10-14(18(24)25)20-17(23)12-9-15(21)19-13-7-5-4-6-11(12)13/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,21)(H,20,23)(H,24,25) |
| InChI Key | YUEGCMDJZXZCID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20N2O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.13213636 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-butoxy-4-oxo-2-2-oxo-1h-quinoline-4-carbonylaminobutanoic-acid.jpg "2D Structure of 4-butoxy-4-oxo-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.62% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.49% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.89% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.60% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.88% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.04% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.25% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.64% | 93.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.78% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.21% | 98.75% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.13% | 92.08% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.08% | 92.67% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 83.58% | 89.92% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.04% | 97.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.47% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.26% | 86.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.15% | 91.81% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.86% | 96.90% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.46% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.35% | 96.00% |
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.
| Scaphium affine |
| PubChem | 12112940 |
| LOTUS | LTS0185569 |
| wikiData | Q105362750 |