(E)-3-Ethylidenepyrrolidin-2-one
| Internal ID | 4e294a39-612b-4927-a837-6f15b645e50e |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-2-ones |
| IUPAC Name | (3E)-3-ethylidenepyrrolidin-2-one |
| SMILES (Canonical) | CC=C1CCNC1=O |
| SMILES (Isomeric) | C/C=C/1\CCNC1=O |
| InChI | InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2H,3-4H2,1H3,(H,7,8)/b5-2+ |
| InChI Key | BUDPEUONKOXMQX-GORDUTHDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.14 g/mol |
| Exact Mass | 111.068413911 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 0.40 |
| (E)-3-Ethylidenepyrrolidin-2-one |
| SCHEMBL7588453 |
| trans-3-ethylidene-2-pyrrolidinone |
| AKOS006356664 |
| 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 | 89.27% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.54% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.10% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.03% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.29% | 89.34% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 81.43% | 95.20% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 80.81% | 95.72% |
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.
| Corydalis pallida |
| PubChem | 20088381 |
| LOTUS | LTS0106952 |
| wikiData | Q104946034 |