2-[(1-Carboxy-2-phenylethyl)amino]pentanedioic acid
| Internal ID | cced5a93-e178-4d29-b02b-0d8787d06c56 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | 2-[(1-carboxy-2-phenylethyl)amino]pentanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H17NO6/c16-12(17)7-6-10(13(18)19)15-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)(H,18,19)(H,20,21) |
| InChI Key | HXHOXUIZVFYTTR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H17NO6 |
| Molecular Weight | 295.29 g/mol |
| Exact Mass | 295.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 2-[(1-Carboxy-2-phenylethyl)amino]pentanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-carboxy-2-phenylethylaminopentanedioic-acid.jpg "2D Structure of 2-[(1-Carboxy-2-phenylethyl)amino]pentanedioic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.21% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.31% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.97% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.61% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.23% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.91% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.17% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.63% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.52% | 94.23% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 83.34% | 98.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.18% | 98.33% |
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.
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| There are no matching plants. |
| PubChem | 85214811 |
| LOTUS | LTS0019085 |
| wikiData | Q105035010 |