(E,5S)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]hex-2-enamide
| Internal ID | b613302c-1948-4ba3-b426-31860d6c7957 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (E,5S)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]hex-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22Cl6N2O2S/c1-10(16(18,19)20)7-12(27-4)9-14(26)25(3)13(15-24-5-6-28-15)8-11(2)17(21,22)23/h5-6,9-11,13H,7-8H2,1-4H3/b12-9+/t10-,11-,13-/m0/s1 |
| InChI Key | FAZKBTFQSATIIN-MXMUKZBDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H22Cl6N2O2S |
| Molecular Weight | 531.10 g/mol |
| Exact Mass | 529.950365 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (E,5S)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]hex-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/ddc6a1e0-881c-11ee-9816-cd4d502c4c76.jpg "2D Structure of (E,5S)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]hex-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.78% | 89.76% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.74% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.59% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.17% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 90.91% | 90.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.75% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.28% | 96.90% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.21% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.62% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.00% | 95.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.99% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.54% | 93.10% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.03% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.47% | 91.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.70% | 89.67% |
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.
| There are no matching plants. |
| PubChem | 163010931 |
| LOTUS | LTS0065287 |
| wikiData | Q104992508 |