N-[2-[4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide
| Internal ID | f6a9ba7c-cd9f-42b1-846f-9ea3ecaf503f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | N-[2-[4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide |
| SMILES (Canonical) | CC(=CC(=O)CC(=CCOC1=CC=C(C=C1)CCN(C)C(=O)C=CS(=O)(=O)C)C)C |
| SMILES (Isomeric) | CC(=CC(=O)CC(=CCOC1=CC=C(C=C1)CCN(C)C(=O)C=CS(=O)(=O)C)C)C |
| InChI | InChI=1S/C23H31NO5S/c1-18(2)16-21(25)17-19(3)11-14-29-22-8-6-20(7-9-22)10-13-24(4)23(26)12-15-30(5,27)28/h6-9,11-12,15-16H,10,13-14,17H2,1-5H3 |
| InChI Key | XBMHYRIXEUNGGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO5S |
| Molecular Weight | 433.60 g/mol |
| Exact Mass | 433.19229426 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of N-[2-[4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2-4-37-dimethyl-5-oxoocta-26-dienoxyphenylethyl-n-methyl-3-methylsulfonylprop-2-enamide.jpg "2D Structure of N-[2-[4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)phenyl]ethyl]-N-methyl-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.54% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.01% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.00% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.61% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.70% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.53% | 95.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.36% | 89.34% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.22% | 94.00% |
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 angustifolia |
| PubChem | 75104502 |
| LOTUS | LTS0180913 |
| wikiData | Q105324576 |