Methyl 8-acetyloxy-11-hydroxy-13-methyl-7-(2-methylbut-2-enoyloxy)-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,12-diene-9-carboxylate
| Internal ID | c896f8d2-e9a2-474c-a68c-03cd1c07e0ad |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | methyl 8-acetyloxy-11-hydroxy-13-methyl-7-(2-methylbut-2-enoyloxy)-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,12-diene-9-carboxylate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C2C(C3C(=CC(O3)(C=C(C1OC(=O)C)C(=O)OC)O)C)OC(=O)C2=C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C2C(C3C(=CC(O3)(C=C(C1OC(=O)C)C(=O)OC)O)C)OC(=O)C2=C |
| InChI | InChI=1S/C23H26O10/c1-7-10(2)20(25)31-19-15-12(4)21(26)32-18(15)16-11(3)8-23(28,33-16)9-14(22(27)29-6)17(19)30-13(5)24/h7-9,15-19,28H,4H2,1-3,5-6H3 |
| InChI Key | RPTKZHBJEPAFDD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O10 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of Methyl 8-acetyloxy-11-hydroxy-13-methyl-7-(2-methylbut-2-enoyloxy)-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,12-diene-9-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/06b728a0-8626-11ee-ba98-c5f4681ef146.jpg "2D Structure of Methyl 8-acetyloxy-11-hydroxy-13-methyl-7-(2-methylbut-2-enoyloxy)-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,12-diene-9-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 | 96.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.67% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.83% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.10% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.91% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.64% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.17% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.04% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.78% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.75% | 89.00% |
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.
| Ichthyothere terminalis |
| PubChem | 162938187 |
| LOTUS | LTS0198202 |
| wikiData | Q105243019 |