N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | b5c0ad1b-37a2-4e03-a971-449bda234534 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)C |
| InChI | InChI=1S/C17H23NO4S/c1-14(2)9-12-22-16-6-4-15(5-7-16)8-11-18-17(19)10-13-23(3,20)21/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,18,19) |
| InChI Key | QRQGRICUEXEWHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23NO4S |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.13477939 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-4-3-methylbut-2-enoxyphenylethyl-3-methylsulfonylprop-2-enamide.jpg "2D Structure of N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.58% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.60% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.25% | 94.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.65% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.90% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.79% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.38% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.10% | 86.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.74% | 89.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.15% | 96.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.90% | 81.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.64% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.05% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.82% | 93.81% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.63% | 85.31% |
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 angustifolia |
| Glycosmis chlorosperma |
| PubChem | 85398627 |
| LOTUS | LTS0260112 |
| wikiData | Q105226555 |