3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione
| Internal ID | c2f17901-1c85-4ccb-8a7a-d3afc8b857f0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-methyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23N3O2/c1-12(2)8-9-22-11-14(15-6-4-5-7-17(15)22)10-16-19(24)20-13(3)18(23)21-16/h4-8,11,13,16H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1 |
| InChI Key | UNYNGLCVZKLLDV-BBRMVZONSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H23N3O2 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.17902698 g/mol |
| Topological Polar Surface Area (TPSA) | 63.10 Ų |
| XlogP | 2.80 |
| 3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione |
![2D Structure of 3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione](https://plantaedb.com/storage/docs/compounds/2023/11/3-methyl-6-1-3-methyl-2-butenyl-1h-indol-3-ylmethyl-25-piperazinedione.jpg "2D Structure of 3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.78% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.72% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.00% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.46% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.43% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.06% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.43% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.58% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.60% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.02% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.63% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.52% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.80% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.16% | 94.45% |
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 | 118734982 |
| LOTUS | LTS0121040 |
| wikiData | Q77378693 |