Methyl 2-(16-acetyloxy-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4-dien-12-yl)acetate
| Internal ID | 1fb7630b-4360-4d3e-b025-0aecebff65ad |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | methyl 2-(16-acetyloxy-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4-dien-12-yl)acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O8/c1-12-8-15-14(21(27)29-12)9-17-23(5,31-15)11-16(30-13(2)25)20-22(3,4)32-18(24(17,20)6)10-19(26)28-7/h8,16-18,20H,9-11H2,1-7H3 |
| InChI Key | XZUBQSJKQPRBGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 97.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(16-acetyloxy-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4-dien-12-yl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0ebe7a80-87e5-11ee-88d6-11ad638d9277.jpg "2D Structure of Methyl 2-(16-acetyloxy-1,5,11,14,14-pentamethyl-7-oxo-2,6,13-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4-dien-12-yl)acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.35% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.29% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.71% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.62% | 94.80% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.93% | 97.28% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.93% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.52% | 89.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.83% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.34% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.15% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.94% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.92% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.89% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.98% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.60% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.44% | 91.19% |
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 | 162815317 |
| LOTUS | LTS0228204 |
| wikiData | Q104201491 |