DL-Isoleucine
| Internal ID | af38106f-ed01-4910-8249-48149d20af2f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Isoleucine and derivatives |
| IUPAC Name | 2-amino-3-methylpentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)O)N |
| SMILES (Isomeric) | CCC(C)C(C(=O)O)N |
| InChI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) |
| InChI Key | AGPKZVBTJJNPAG-UHFFFAOYSA-N |
| Popularity | 281 references in papers |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.17 g/mol |
| Exact Mass | 131.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 63.30 Ų |
| XlogP | -1.70 |
| 443-79-8 |
| 2-Amino-3-methylpentanoic acid |
| DL-Allo-isoleucine |
| 2095501-92-9 |
| H-DL-allo-Ile-OH |
| 2-amino-3-methyl-pentanoic acid |
| Isoleucine, DL- |
| 3107-04-8 |
| CHEBI:38264 |
| DL-Alloisoleucine |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.11% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.70% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.41% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.01% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.23% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.47% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.96% | 93.56% |
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.
| Antirrhinum majus |
| Castanea sativa |
| Catha edulis |
| Colchicum trigynum |
| Glycine max |
| Pogostemon cablin |
| Stellaria media |
| Vicia sativa |
| Viscum album |
| PubChem | 791 |
| LOTUS | LTS0126267 |
| wikiData | Q27117434 |