4-[4-(2-Carboxyethylcarbamoyl)phenoxy]-2-methylbutanoic acid
| Internal ID | dde5a4b8-d03d-4206-95e4-d7e97a21fa8d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | (2S)-4-[4-(2-carboxyethylcarbamoyl)phenoxy]-2-methylbutanoic acid |
| SMILES (Canonical) | CC(CCOC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)O |
| SMILES (Isomeric) | C[C@@H](CCOC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)O |
| InChI | InChI=1S/C15H19NO6/c1-10(15(20)21)7-9-22-12-4-2-11(3-5-12)14(19)16-8-6-13(17)18/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t10-/m0/s1 |
| InChI Key | AQYVBRADYQRCEE-JTQLQIEISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H19NO6 |
| Molecular Weight | 309.31 g/mol |
| Exact Mass | 309.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 4-[4-(2-Carboxyethylcarbamoyl)phenoxy]-2-methylbutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-4-4-2-carboxyethylcarbamoylphenoxy-2-methylbutanoic-acid.jpg "2D Structure of 4-[4-(2-Carboxyethylcarbamoyl)phenoxy]-2-methylbutanoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.84% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.62% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.24% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.31% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.34% | 81.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.34% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.30% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.42% | 94.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 88.26% | 89.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.16% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.61% | 89.34% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 87.18% | 98.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.43% | 89.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.27% | 91.11% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.24% | 92.26% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.83% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.09% | 91.07% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.93% | 87.67% |
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.
| Strychnos kasengaensis |
| PubChem | 162957734 |
| LOTUS | LTS0058918 |
| wikiData | Q105179185 |