beta-Alanine, N-L-gamma-glutamyl-L-3-phenyl-
| Internal ID | 815952ea-3d58-4b54-ad15-df490f149833 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | 2-amino-5-[(2-carboxy-1-phenylethyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21) |
| InChI Key | IDPGQVFKQDLMJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.12157168 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -2.70 |
| CHEBI:174792 |
| DTXSID001287447 |
| beta-Alanine, N-L-gamma-glutamyl-L-3-phenyl- |
| 2-amino-5-[(2-carboxy-1-phenylethyl)amino]-5-oxopentanoic acid |
| 10275-84-0 |
| 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 | 98.83% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.70% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.05% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.97% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.76% | 83.82% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.75% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.18% | 94.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.38% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.02% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.34% | 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.
| Azolla filiculoides |
| PubChem | 131752386 |
| LOTUS | LTS0096381 |
| wikiData | Q105111449 |