N-[2-[3-hydroxy-4-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | 7d5a89a8-f0d0-4077-b3e7-6ffd5cdb18eb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | N-[2-[3-hydroxy-4-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CC(CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)C)O)C |
| SMILES (Isomeric) | CC(=CC(CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)O)C)O)C |
| InChI | InChI=1S/C22H31NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,8-9,12-13,15,19,24-25H,7,10-11,14H2,1-4H3,(H,23,26) |
| InChI Key | IOVSDORWALQVLD-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 | 2.80 |
| There are no found synonyms. |
![2D Structure of N-[2-[3-hydroxy-4-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/822f56e0-864e-11ee-8e22-d5f22cc96102.jpg "2D Structure of N-[2-[3-hydroxy-4-(5-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 | 98.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.57% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.27% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.48% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.48% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.36% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.02% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.55% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.73% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.81% | 85.31% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.54% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.46% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.79% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.40% | 94.80% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.09% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.81% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.50% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.48% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.85% | 95.89% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.02% | 92.29% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.39% | 95.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.33% | 94.33% |
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 mauritiana |
| PubChem | 163047113 |
| LOTUS | LTS0270873 |
| wikiData | Q105116942 |