Methyl 3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate
| Internal ID | e75e37e8-906d-4c49-a991-75a91e7d6e53 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Thiazoles > 2,4-disubstituted thiazoles |
| IUPAC Name | methyl 3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3 |
| InChI Key | LRTJMINIVSPVMX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26N2O4S2 |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.13339966 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of Methyl 3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/7c7966c0-8422-11ee-b0a4-4120ac250992.jpg "2D Structure of Methyl 3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate")
| 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 | 93.50% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.60% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.39% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.69% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.21% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.08% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.49% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.27% | 95.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.14% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.52% | 99.23% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.45% | 93.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.14% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.94% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.57% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.42% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.55% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.28% | 97.53% |
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 | 67656262 |
| LOTUS | LTS0212944 |
| wikiData | Q104171257 |