3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
| Internal ID | 658f8ae7-9e6e-4fbc-9a2f-6f5b4674fdb1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione |
| SMILES (Canonical) | CC1(C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1)OC |
| SMILES (Isomeric) | CC1(C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1)OC |
| InChI | InChI=1S/C20H23N3O3/c1-6-19(2,3)16-13(12-9-7-8-10-14(12)21-16)11-15-17(24)23-20(4,26-5)18(25)22-15/h6-11,21H,1H2,2-5H3,(H,22,25)(H,23,24) |
| InChI Key | AULFXBHXEZPTRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23N3O3 |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.17394160 g/mol |
| Topological Polar Surface Area (TPSA) | 83.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-methoxy-3-methyl-6-2-2-methylbut-3-en-2-yl-1h-indol-3-ylmethylidenepiperazine-25-dione.jpg "2D Structure of 3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.44% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.81% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.54% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.27% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.99% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.45% | 94.45% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 90.91% | 81.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.78% | 92.97% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.13% | 94.73% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.11% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.33% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.79% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.56% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.67% | 98.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.48% | 94.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.56% | 88.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.43% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.34% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.21% | 94.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.07% | 94.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.77% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.07% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74080576 |
| LOTUS | LTS0159759 |
| wikiData | Q103816440 |