3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
| Internal ID | effe743b-e50c-42b1-b348-b1e10bac98c3 |
| 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)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(C(=O)N3)(C)OC)C(C)(C)C=C)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1)NC(=C2C=C3C(=O)NC(C(=O)N3)(C)OC)C(C)(C)C=C)C |
| InChI | InChI=1S/C25H31N3O3/c1-8-24(4,5)21-18(14-20-22(29)28-25(6,31-7)23(30)27-20)17-13-16(10-9-15(2)3)11-12-19(17)26-21/h8-9,11-14,26H,1,10H2,2-7H3,(H,27,30)(H,28,29) |
| InChI Key | XXJNZGPUCVMTGE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H31N3O3 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.23654186 g/mol |
| Topological Polar Surface Area (TPSA) | 83.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1b8502c0-835c-11ee-8722-3f8196823d8e.jpg "2D Structure of 3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.55% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.09% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.24% | 95.56% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 92.31% | 97.88% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.73% | 92.88% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.66% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.64% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.53% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.94% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.95% | 96.90% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.81% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.84% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.69% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.65% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.12% | 91.71% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.12% | 85.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.09% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.46% | 90.20% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.88% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.27% | 93.03% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.16% | 86.92% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.08% | 92.97% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.38% | 92.94% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 81.38% | 95.52% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.26% | 98.59% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.01% | 97.05% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.89% | 83.57% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.61% | 81.14% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 74080677 |
| LOTUS | LTS0069174 |
| wikiData | Q104201425 |