N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | 846d4e84-c78c-4c2a-9416-ac757ebcf333 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)C |
| InChI | InChI=1S/C17H23NO5S/c1-13(2)7-10-23-16-5-4-14(12-15(16)19)6-9-18-17(20)8-11-24(3,21)22/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20) |
| InChI Key | YJDWFOYXEJUGOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23NO5S |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.12969401 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of N-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-3-hydroxy-4-3-methylbut-2-enoxyphenylethyl-3-methylsulfonylprop-2-enamide.jpg "2D Structure of N-[2-[3-hydroxy-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 | 97.14% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.44% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.65% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.35% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.93% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.53% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.24% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.02% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.71% | 96.90% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.49% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.71% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.26% | 94.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.78% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.98% | 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 chlorosperma |
| PubChem | 163076456 |
| LOTUS | LTS0259971 |
| wikiData | Q105349197 |