(E)-N-[2-[4-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | a002e922-be80-4b53-ba50-76411dc240ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (E)-N-[2-[4-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)OC)CCC=C(C)CO |
| SMILES (Isomeric) | C/C(=C\COC1=C(C=C(C=C1)CCNC(=O)/C=C/S(=O)(=O)C)OC)/CC/C=C(\C)/CO |
| InChI | InChI=1S/C23H33NO6S/c1-18(6-5-7-19(2)17-25)11-14-30-21-9-8-20(16-22(21)29-3)10-13-24-23(26)12-15-31(4,27)28/h7-9,11-12,15-16,25H,5-6,10,13-14,17H2,1-4H3,(H,24,26)/b15-12+,18-11+,19-7+ |
| InChI Key | OFEAQJRUNQFNFH-SZPPARACSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO6S |
| Molecular Weight | 451.60 g/mol |
| Exact Mass | 451.20285895 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (E)-N-[2-[4-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/9d2eb390-8728-11ee-be09-6fef44d7b689.jpg "2D Structure of (E)-N-[2-[4-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]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 | 97.71% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.41% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.88% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.96% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.48% | 90.20% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.28% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 89.10% | 89.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.87% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.18% | 96.90% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.17% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.20% | 89.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.19% | 94.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.68% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.37% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.23% | 96.95% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.10% | 85.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.78% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.70% | 89.00% |
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 | 101059286 |
| LOTUS | LTS0119534 |
| wikiData | Q105190894 |