2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-1,3-dimethylquinolin-4-one
| Internal ID | 8323f19f-2948-4e2e-9106-ec9e9a136418 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-1,3-dimethylquinolin-4-one |
| SMILES (Canonical) | CC1=C(N(C2=CC=CC=C2C1=O)C)CC=C(C)CCC3C(O3)(C)C |
| SMILES (Isomeric) | CC1=C(N(C2=CC=CC=C2C1=O)C)C/C=C(\C)/CCC3C(O3)(C)C |
| InChI | InChI=1S/C21H27NO2/c1-14(11-13-19-21(3,4)24-19)10-12-17-15(2)20(23)16-8-6-7-9-18(16)22(17)5/h6-10,19H,11-13H2,1-5H3/b14-10+ |
| InChI Key | DSXHBOUOVLEJIT-GXDHUFHOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO2 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-1,3-dimethylquinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-e-5-33-dimethyloxiran-2-yl-3-methylpent-2-enyl-13-dimethylquinolin-4-one.jpg "2D Structure of 2-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-1,3-dimethylquinolin-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.94% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.53% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.78% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.45% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.96% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.58% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.19% | 99.23% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.64% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.40% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.36% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.41% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.26% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.79% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.30% | 97.25% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.92% | 96.25% |
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.
| Senecio glanduloso-pilosus |
| PubChem | 9862116 |
| LOTUS | LTS0136727 |
| wikiData | Q105322512 |