methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
| Internal ID | ffee3805-6eb4-4350-adc0-31143e1ea10d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25Cl3N2O4S/c1-9(6-11(3)19-24-12(8-30-19)20(28)29-4)5-10(2)13(26)7-14(27)17-15(21)16(22)18(23)25-17/h7,9-12,25,27H,5-6,8H2,1-4H3/b14-7- |
| InChI Key | QZKSBMSTJXABHJ-AUWJEWJLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H25Cl3N2O4S |
| Molecular Weight | 495.80 g/mol |
| Exact Mass | 494.060062 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 5.80 |
| methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate |
| 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(8-hydroxy-1,3,5-trimethyl-6-oxo-8-(3,4,5-trichloro-1H-pyrrol-2-yl)-7-octenyl)-4-methyl- |
![2D Structure of methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f4fe7e20-85d3-11ee-a44d-93b277b7acdb.jpg "2D Structure of methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.80% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.33% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.13% | 91.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.27% | 92.29% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.92% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.87% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.13% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.08% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.04% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.00% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.84% | 89.34% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.44% | 86.92% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.77% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.25% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.82% | 93.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.60% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.35% | 89.50% |
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 | 6443703 |
| LOTUS | LTS0078873 |
| wikiData | Q105232135 |