4-desmethylepothilone D
| Internal ID | 347d872a-7ec1-42b8-9aea-fdc703efe685 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-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/C26H39NO5S/c1-15-8-7-9-16(2)25(30)19(5)26(31)18(4)22(28)13-24(29)32-23(11-10-15)17(3)12-21-14-33-20(6)27-21/h10,12,14,16,18-19,22-23,25,28,30H,7-9,11,13H2,1-6H3/b15-10-,17-12+/t16-,18?,19+,22-,23-,25-/m0/s1 |
| InChI Key | PPADMZQKLQKZMX-NJBAOKSHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H39NO5S |
| Molecular Weight | 477.70 g/mol |
| Exact Mass | 477.25489452 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 4.70 |
| 4-desmethylepothilone D |
| SCHEMBL6203360 |
| HY-142007 |
| CS-0311653 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.33% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.28% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.35% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.32% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.37% | 95.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.05% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.13% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.95% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.41% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.99% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.93% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 21592234 |
| LOTUS | LTS0212742 |
| wikiData | Q77372926 |