Oxalylalbizziin
| Internal ID | 04f4efa4-e8d3-4942-b38a-6914b15b359e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids |
| IUPAC Name | (2S)-3-(carbamoylamino)-2-(oxaldehydoylamino)propanoic acid |
| SMILES (Canonical) | C(C(C(=O)O)NC(=O)C=O)NC(=O)N |
| SMILES (Isomeric) | C([C@@H](C(=O)O)NC(=O)C=O)NC(=O)N |
| InChI | InChI=1S/C6H9N3O5/c7-6(14)8-1-3(5(12)13)9-4(11)2-10/h2-3H,1H2,(H,9,11)(H,12,13)(H3,7,8,14)/t3-/m0/s1 |
| InChI Key | NCCNIHRQKQNDJD-VKHMYHEASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C6H9N3O5 |
| Molecular Weight | 203.15 g/mol |
| Exact Mass | 203.05422040 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | -2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 88.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.22% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.19% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.70% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.74% | 99.17% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 86.68% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.41% | 93.56% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.52% | 80.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.27% | 92.29% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.91% | 90.20% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 83.74% | 96.28% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.54% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.19% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.69% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.24% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.78% | 97.29% |
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.
| Acaciella angustissima |
| PubChem | 129650683 |
| LOTUS | LTS0182987 |
| wikiData | Q105177137 |