N-[2-[3-hydroxy-4-(8-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | 33693eeb-a2ec-41ef-be67-19e8baaf4362 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | N-[2-[3-hydroxy-4-(8-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)CCC=C(C)CO |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)CCC=C(C)CO |
| InChI | InChI=1S/C22H31NO6S/c1-17(5-4-6-18(2)16-24)10-13-29-21-8-7-19(15-20(21)25)9-12-23-22(26)11-14-30(3,27)28/h6-8,10-11,14-15,24-25H,4-5,9,12-13,16H2,1-3H3,(H,23,26) |
| InChI Key | HQPXIDJWLNJWEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO6S |
| Molecular Weight | 437.60 g/mol |
| Exact Mass | 437.18720888 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of N-[2-[3-hydroxy-4-(8-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/828a85c0-8678-11ee-aabb-350dacfa74f1.jpg "2D Structure of N-[2-[3-hydroxy-4-(8-hydroxy-3,7-dimethylocta-2,6-dienoxy)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 | 97.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.76% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.68% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.24% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.82% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.67% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.70% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.24% | 96.90% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.16% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.59% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.28% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.81% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.94% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.70% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.59% | 92.29% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.11% | 94.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.09% | 89.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.99% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.88% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.82% | 90.20% |
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 | 162968077 |
| LOTUS | LTS0055033 |
| wikiData | Q105032375 |