N-(2-Hydroxybenzoyl)-L-aspartic acid
| Internal ID | c6a4e462-9221-4d80-a75a-2e1aa606d0aa |
| 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 | (2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid |
| SMILES (Canonical) | C1=CC=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)O)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O)O |
| InChI | InChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)/t7-/m0/s1 |
| InChI Key | JMJWCANHASMNST-ZETCQYMHSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C11H11NO6 |
| Molecular Weight | 253.21 g/mol |
| Exact Mass | 253.05863707 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.50 |
| (2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid |
| Aspartic acid, N-salicyloyl- |
| N-(2-Hydroxybenzoyl)-L-aspartic acid |
| L-Aspartic acid, N-(2-hydroxybenzoyl)- |
| BRN 2595187 |
| N-salicyloyl aspartic acid |
| SCHEMBL18277718 |
| DTXSID50204677 |
| CHEBI:177489 |
| AKOS017547798 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.65% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.56% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.59% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.49% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.85% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.36% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.48% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.54% | 99.17% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.52% | 97.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.08% | 99.15% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 82.24% | 92.80% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.97% | 83.82% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.87% | 97.06% |
| CHEMBL2321614 | Q9NPC2 | Potassium channel subfamily K member 9 | 80.69% | 80.00% |
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.
| Phaseolus vulgaris |
| PubChem | 3043783 |
| LOTUS | LTS0154353 |
| wikiData | Q76150912 |