3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
| Internal ID | 77d7db3b-45d0-4aba-b695-d53c6dcb12ed |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22N4O2/c1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21) |
| InChI Key | RSGRSUVVCYUKLM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H22N4O2 |
| Molecular Weight | 302.37 g/mol |
| Exact Mass | 302.17427596 g/mol |
| Topological Polar Surface Area (TPSA) | 86.90 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-5-2-methylbut-3-en-2-yl-1h-imidazol-4-ylmethylidene-6-propan-2-ylpiperazine-25-dione.jpg "2D Structure of 3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.68% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.15% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.75% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.66% | 92.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.84% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.81% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.39% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.09% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.32% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.27% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.79% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.47% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.43% | 99.23% |
| CHEMBL4070 | P19784 | Casein kinase II alpha (prime) | 86.49% | 91.67% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.42% | 83.10% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.50% | 100.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 84.03% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.86% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.36% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.22% | 91.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.86% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.72% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.58% | 91.07% |
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.
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| There are no matching plants. |
| PubChem | 375594 |
| LOTUS | LTS0087569 |
| wikiData | Q105244633 |