3-Hydroxy-2-(methylamino)pentanoic acid
| Internal ID | e02a1878-896c-485b-b411-aa5f446f5a5f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 3-hydroxy-2-(methylamino)pentanoic acid |
| SMILES (Canonical) | CCC(C(C(=O)O)NC)O |
| SMILES (Isomeric) | CCC(C(C(=O)O)NC)O |
| InChI | InChI=1S/C6H13NO3/c1-3-4(8)5(7-2)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10) |
| InChI Key | HNCSHNXJJWIGTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H13NO3 |
| Molecular Weight | 147.17 g/mol |
| Exact Mass | 147.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.09% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.63% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.35% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.05% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.01% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.03% | 96.95% |
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.
| Crotalaria juncea |
| PubChem | 76224000 |
| LOTUS | LTS0237201 |
| wikiData | Q105030807 |