3-[[5-(2,3-dihydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
| Internal ID | 7071035f-7499-46d4-b4d1-cf53b9fd35cf |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[[5-(2,3-dihydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H33N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,13,18-19,26,28,31H,1,11-12H2,2-6H3,(H,25,30)(H,27,29) |
| InChI Key | LRRYXTKTIYROOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H33N3O4 |
| Molecular Weight | 427.50 g/mol |
| Exact Mass | 427.24710654 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 3-[[5-(2,3-dihydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/23c55a40-83bb-11ee-92c3-4ba85d8cb62a.jpg "2D Structure of 3-[[5-(2,3-dihydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.08% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.14% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.86% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.95% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.41% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.79% | 97.05% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.28% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.64% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.02% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.38% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.76% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.29% | 85.31% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.26% | 83.82% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.50% | 91.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.23% | 96.90% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.11% | 97.29% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.96% | 98.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.27% | 90.93% |
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 | 155487752 |
| LOTUS | LTS0137024 |
| wikiData | Q104171254 |