3-Benzyl-6-isopropyl-2,5-piperazinedione
| Internal ID | e442b624-4ff7-437b-b413-68749bd38705 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-benzyl-6-propan-2-ylpiperazine-2,5-dione |
| SMILES (Canonical) | CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 |
| SMILES (Isomeric) | CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 |
| InChI | InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17) |
| InChI Key | OQQPOHUVAQPSHJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.136827821 g/mol |
| Topological Polar Surface Area (TPSA) | 58.20 Ų |
| XlogP | 2.00 |
| Cyclo(Phe-Val) |
| 3-Benzyl-6-isopropyl-2,5-piperazinedione |
| 2,5-Piperazinedione, 3-benzyl-6-isopropyl- |
| 3-benzyl-6-propan-2-ylpiperazine-2,5-dione |
| Antibacterial agent 134 |
| 3-benzyl-6-isopropylpiperazine-2,5-dione |
| SCHEMBL162018 |
| DTXSID60932398 |
| OQQPOHUVAQPSHJ-UHFFFAOYSA-N |
| AKOS014213043 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.65% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.86% | 90.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.57% | 97.64% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.91% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.41% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.72% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.42% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.28% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.68% | 91.11% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.61% | 98.57% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.40% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.24% | 94.73% |
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.
| Coffea arabica |
| PubChem | 139766 |
| LOTUS | LTS0261502 |
| wikiData | Q82908094 |