6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
| Internal ID | ac0264f2-4e6b-4c93-b0bd-f41105fd2e79 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines > Amphetamines and derivatives |
| IUPAC Name | 6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide |
| SMILES (Canonical) | CC(CC(=CC(=O)N(C)C(CC1=CC=CC=C1)C2=NC=CS2)OC)C(Cl)(Cl)Cl |
| SMILES (Isomeric) | CC(CC(=CC(=O)N(C)C(CC1=CC=CC=C1)C2=NC=CS2)OC)C(Cl)(Cl)Cl |
| InChI | InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3 |
| InChI Key | UGNRFJOMRFTXSQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23Cl3N2O2S |
| Molecular Weight | 461.80 g/mol |
| Exact Mass | 460.054582 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/666-trichloro-3-methoxy-n5-dimethyl-n-2-phenyl-1-13-thiazol-2-ylethylhex-2-enamide.jpg "2D Structure of 6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]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 | 99.39% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.97% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.42% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.34% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.82% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.53% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.02% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.11% | 90.24% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.09% | 93.04% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.24% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.60% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.13% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.18% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.96% | 90.20% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.62% | 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.
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| There are no matching plants. |
| PubChem | 44123586 |
| LOTUS | LTS0041524 |
| wikiData | Q104198191 |