3-[[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione
| Internal ID | b67c7c18-9993-4561-918b-772036a6bc2d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione |
| SMILES (Canonical) | CC(C)CC1C(=O)NC(C(=O)N1)CC2=CNC3=C2C=CC(=C3)CC=C(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)NC(C(=O)N1)CC2=CNC3=C2C=CC(=C3)CC=C(C)C |
| InChI | InChI=1S/C22H29N3O2/c1-13(2)5-6-15-7-8-17-16(12-23-18(17)10-15)11-20-22(27)24-19(9-14(3)4)21(26)25-20/h5,7-8,10,12,14,19-20,23H,6,9,11H2,1-4H3,(H,24,27)(H,25,26) |
| InChI Key | IQXLYGNDMKLCLM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29N3O2 |
| Molecular Weight | 367.50 g/mol |
| Exact Mass | 367.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3-[[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-6-3-methylbut-2-enyl-1h-indol-3-ylmethyl-6-2-methylpropylpiperazine-25-dione.jpg "2D Structure of 3-[[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.40% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.05% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.04% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.94% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.87% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.61% | 94.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 95.09% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.74% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.57% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.52% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.98% | 96.61% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.63% | 96.90% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.15% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.11% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.90% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.16% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.88% | 90.08% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.50% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.88% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.72% | 98.59% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.59% | 90.24% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.38% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.38% | 89.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.16% | 97.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163053280 |
| LOTUS | LTS0217595 |
| wikiData | Q104169028 |