3-[(E)-4-(1H-indol-7-yl)-2-methylbut-3-en-2-yl]-7-(3-methylbut-2-enyl)-1H-indole
| Internal ID | 270a09df-39d0-4279-a747-5fd33a213e9b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 3-[(E)-4-(1H-indol-7-yl)-2-methylbut-3-en-2-yl]-7-(3-methylbut-2-enyl)-1H-indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28N2/c1-18(2)11-12-19-9-6-10-22-23(17-28-25(19)22)26(3,4)15-13-20-7-5-8-21-14-16-27-24(20)21/h5-11,13-17,27-28H,12H2,1-4H3/b15-13+ |
| InChI Key | RPMTXMOMVGUPIS-FYWRMAATSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C26H28N2 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.225248902 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 3-[(E)-4-(1H-indol-7-yl)-2-methylbut-3-en-2-yl]-7-(3-methylbut-2-enyl)-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/3-e-4-1h-indol-7-yl-2-methylbut-3-en-2-yl-7-3-methylbut-2-enyl-1h-indole.jpg "2D Structure of 3-[(E)-4-(1H-indol-7-yl)-2-methylbut-3-en-2-yl]-7-(3-methylbut-2-enyl)-1H-indole")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.92% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.09% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.71% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.65% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.04% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.96% | 94.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.98% | 83.10% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.92% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.86% | 96.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.77% | 97.79% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.94% | 96.39% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.32% | 90.08% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.10% | 92.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.09% | 88.56% |
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.
| Anonidium mannii |
| Esenbeckia leiocarpa |
| PubChem | 14414113 |
| LOTUS | LTS0053504 |
| wikiData | Q104395796 |