(6Z)-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione
| Internal ID | 2cb31ed0-2816-4fd3-b22e-40c05c50adf7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (6Z)-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(=O)C(=O)N3)C(C)(C)C=C)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1)NC(=C2/C=C\3/C(=O)NC(=O)C(=O)N3)C(C)(C)C=C)C |
| InChI | InChI=1S/C23H25N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-11-14(8-7-13(2)3)9-10-17(15)24-19/h6-7,9-12,24H,1,8H2,2-5H3,(H,25,28)(H,26,27,29)/b18-12- |
| InChI Key | DNBYIRPIGWYFFR-PDGQHHTCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H25N3O3 |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.18959167 g/mol |
| Topological Polar Surface Area (TPSA) | 91.10 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (6Z)-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione](https://plantaedb.com/storage/docs/compounds/2023/11/e6ec3bd0-84e1-11ee-a48d-2738ca66ee56.jpg "2D Structure of (6Z)-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.26% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.25% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.50% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.28% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.14% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.38% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.45% | 92.97% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.27% | 92.88% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.36% | 98.59% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.29% | 96.90% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.05% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.51% | 91.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.92% | 90.08% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.41% | 85.49% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.25% | 97.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.72% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.41% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.11% | 93.03% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.07% | 83.57% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.02% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.33% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.31% | 90.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 23655531 |
| LOTUS | LTS0088535 |
| wikiData | Q104985463 |