2-[2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-en-2-yl)-1H-indol-3-yl]ethyl acetate
| Internal ID | 91daa0dc-df38-45fa-af95-55a2d0cbc596 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-en-2-yl)-1H-indol-3-yl]ethyl acetate |
| SMILES (Canonical) | CC(=O)OCCC1=C(NC2=CC=CC=C21)C3=CC4CCN3CC4C=C |
| SMILES (Isomeric) | CC(=O)OCCC1=C(NC2=CC=CC=C21)C3=CC4CCN3CC4C=C |
| InChI | InChI=1S/C21H24N2O2/c1-3-15-13-23-10-8-16(15)12-20(23)21-18(9-11-25-14(2)24)17-6-4-5-7-19(17)22-21/h3-7,12,15-16,22H,1,8-11,13H2,2H3 |
| InChI Key | NTXQPCRTNMYFJX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O2 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-en-2-yl)-1H-indol-3-yl]ethyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-5-ethenyl-1-azabicyclo222oct-2-en-2-yl-1h-indol-3-ylethyl-acetate.jpg "2D Structure of 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-en-2-yl)-1H-indol-3-yl]ethyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.97% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.99% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.92% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.14% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.54% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.76% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.30% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.54% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.17% | 98.59% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.78% | 85.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.43% | 92.94% |
| CHEMBL5028 | O14672 | ADAM10 | 82.42% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.66% | 93.99% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.04% | 89.44% |
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.
| Ciliosemina pedunculata |
| PubChem | 72966351 |
| LOTUS | LTS0231490 |
| wikiData | Q105185726 |