(2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxyanilino)-5-oxopentanoic acid
| Internal ID | ef93e4f6-6896-411c-8286-0ec9b4738d04 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | (2S,4S)-2-amino-4-hydroxy-5-(2-hydroxy-4,5-dimethoxyanilino)-5-oxopentanoic acid |
| SMILES (Canonical) | COC1=C(C=C(C(=C1)NC(=O)C(CC(C(=O)O)N)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1)NC(=O)[C@H](C[C@@H](C(=O)O)N)O)O)OC |
| InChI | InChI=1S/C13H18N2O7/c1-21-10-4-7(8(16)5-11(10)22-2)15-12(18)9(17)3-6(14)13(19)20/h4-6,9,16-17H,3,14H2,1-2H3,(H,15,18)(H,19,20)/t6-,9-/m0/s1 |
| InChI Key | VNFIARTUELZYAE-RCOVLWMOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H18N2O7 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.11140092 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | -3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.44% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.59% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.16% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.56% | 92.29% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.41% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.74% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.91% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.46% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.07% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.88% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.31% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.53% | 97.21% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.32% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.06% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.88% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.22% | 91.19% |
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.
| Justicia leonardii |
| Senna siamea |
| PubChem | 11723138 |
| LOTUS | LTS0086656 |
| wikiData | Q105022355 |