(E)-N-[2-[4-[(3S)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl]ethyl]-3-[(R)-methylsulfinyl]prop-2-enamide
| Internal ID | 9336dc31-cb57-43dc-8b59-54639ce02b38 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | (E)-N-[2-[4-[(3S)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl]ethyl]-3-[(R)-methylsulfinyl]prop-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29NO5S/c1-16(19-15-20(24)22(2,3)28-19)10-13-27-18-7-5-17(6-8-18)9-12-23-21(25)11-14-29(4)26/h5-8,11,14-16H,9-10,12-13H2,1-4H3,(H,23,25)/b14-11+/t16-,29+/m0/s1 |
| InChI Key | NRJOSORSQSYXRT-PQXLWMMESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H29NO5S |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.17664420 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (E)-N-[2-[4-[(3S)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl]ethyl]-3-[(R)-methylsulfinyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/f08b3300-8641-11ee-b2d0-7ffe4d11fcbe.jpg "2D Structure of (E)-N-[2-[4-[(3S)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl]ethyl]-3-[(R)-methylsulfinyl]prop-2-enamide")
| 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 | 99.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.62% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.80% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.15% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 95.28% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 92.87% | 89.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.57% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.37% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.58% | 94.75% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.33% | 92.29% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.74% | 90.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.50% | 89.67% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.20% | 95.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.04% | 85.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.39% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.32% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.77% | 97.29% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.67% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.81% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.21% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.66% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.61% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.45% | 95.56% |
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.
| Glycosmis parva |
| PubChem | 163185331 |
| LOTUS | LTS0124041 |
| wikiData | Q105184609 |