(3S)-3-(1-Hydroxyethyl)piperazine-2,5-dione
| Internal ID | 96aca99c-8a1d-4d73-bfe5-3ba9717ff1ac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S)-3-[(1R)-1-hydroxyethyl]piperazine-2,5-dione |
| SMILES (Canonical) | CC(C1C(=O)NCC(=O)N1)O |
| SMILES (Isomeric) | C[C@H]([C@H]1C(=O)NCC(=O)N1)O |
| InChI | InChI=1S/C6H10N2O3/c1-3(9)5-6(11)7-2-4(10)8-5/h3,5,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,5+/m1/s1 |
| InChI Key | QPENGVPAWUAJDV-WUJLRWPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H10N2O3 |
| Molecular Weight | 158.16 g/mol |
| Exact Mass | 158.06914219 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | -1.00 |
| (3S)-3-(1-Hydroxyethyl)piperazine-2,5-dione |
| DTXSID60514193 |
| 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 | 94.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.95% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.01% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.90% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.34% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.90% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.50% | 88.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.97% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.19% | 91.03% |
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.
| Arenaria oreophila |
| Mitragyna speciosa |
| PubChem | 12968604 |
| LOTUS | LTS0225695 |
| wikiData | Q105122556 |