3-[[5-(2-hydroxy-3-methylbut-3-enyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
| Internal ID | 3edcc664-1bfe-407d-8c6f-a292d1bc6f48 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3-[[5-(2-hydroxy-3-methylbut-3-enyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H29N3O3/c1-7-24(5,6)21-17(12-19-23(30)25-14(4)22(29)27-19)16-10-15(8-9-18(16)26-21)11-20(28)13(2)3/h7-10,12,14,20,26,28H,1-2,11H2,3-6H3,(H,25,30)(H,27,29) |
| InChI Key | SEQDZBXCPJTKIR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H29N3O3 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.22089180 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[[5-(2-hydroxy-3-methylbut-3-enyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fc41ba90-833b-11ee-a00e-eb8b011bc1ac.jpg "2D Structure of 3-[[5-(2-hydroxy-3-methylbut-3-enyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.01% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.28% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.70% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.79% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.29% | 92.88% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.80% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.85% | 89.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.50% | 92.97% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.88% | 94.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.36% | 96.90% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.96% | 85.31% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.15% | 97.05% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.07% | 98.59% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.30% | 94.01% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.14% | 88.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.96% | 91.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.69% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.61% | 93.03% |
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 | 74073806 |
| LOTUS | LTS0075052 |
| wikiData | Q104197224 |