4,8,15-Trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
| Internal ID | a78a9322-4f8b-4c92-8503-6b40d5d89156 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Epothilones and analogues |
| IUPAC Name | 4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3 |
| InChI Key | XHORAZNTIGWOJV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H39NO6S |
| Molecular Weight | 493.70 g/mol |
| Exact Mass | 493.24980914 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4,8,15-Trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6134d210-8557-11ee-ac1d-2ffcc938a8a9.jpg "2D Structure of 4,8,15-Trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 97.83% | 87.67% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.44% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.10% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.15% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.00% | 95.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.36% | 92.94% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.25% | 92.51% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.86% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.27% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.86% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.63% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.25% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.61% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.65% | 96.90% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.55% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.53% | 91.19% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.52% | 96.39% |
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 | 73792535 |
| LOTUS | LTS0197539 |
| wikiData | Q104200991 |