N-[2-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
| Internal ID | 1c3a20b5-9872-4969-bc8b-86efe65ea743 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | N-[2-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=CC=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1=CC=C(C=C1)CCNC(=O)C=CS(=O)(=O)C)C)C |
| InChI | InChI=1S/C22H31NO4S/c1-18(2)6-5-7-19(3)13-16-27-21-10-8-20(9-11-21)12-15-23-22(24)14-17-28(4,25)26/h6,8-11,13-14,17H,5,7,12,15-16H2,1-4H3,(H,23,24) |
| InChI Key | DBTJBVAPSHUCIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO4S |
| Molecular Weight | 405.60 g/mol |
| Exact Mass | 405.19737964 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of N-[2-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-4-37-dimethylocta-26-dienoxyphenylethyl-3-methylsulfonylprop-2-enamide.jpg "2D Structure of N-[2-[4-(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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.25% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.14% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.21% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.93% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.89% | 96.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.97% | 94.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.70% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.68% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.32% | 94.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.93% | 89.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.54% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.37% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.25% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.98% | 98.59% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.85% | 96.95% |
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 |
| PubChem | 85403084 |
| LOTUS | LTS0262671 |
| wikiData | Q104974814 |