3-(2-Amino-2-carboxyethyl)benzoic acid
| Internal ID | 836752ef-4b6d-4cc5-b130-7c47e42d16d9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | 3-(2-amino-2-carboxyethyl)benzoic acid |
| SMILES (Canonical) | C1=CC(=CC(=C1)C(=O)O)CC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC(=CC(=C1)C(=O)O)CC(C(=O)O)N |
| InChI | InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15) |
| InChI Key | JANONUPBHGWOBP-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.20 g/mol |
| Exact Mass | 209.06880783 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | -1.90 |
| 2196-56-7 |
| 3-Carboxy-L-phenylalanine |
| 3-carboxy-DL-phenylalanine |
| NSC101134 |
| 3-(2-Amino-2-carboxyethyl)benzoicacid |
| 3-(3-carboxyphenyl) alanine |
| SCHEMBL1061212 |
| DTXSID20295315 |
| JANONUPBHGWOBP-UHFFFAOYSA-N |
| NSC-101134 |
| 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 | 95.13% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.70% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.24% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.93% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.45% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.64% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.04% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.39% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.29% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.81% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.09% | 95.50% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.39% | 81.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.06% | 98.75% |
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.
| Caylusea abyssinica |
| Reseda luteola |
| PubChem | 265274 |
| LOTUS | LTS0158004 |
| wikiData | Q82035177 |