[7-(Furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-2-yl] 2-methylbut-2-enoate
| Internal ID | 720608af-5071-436e-a9a9-b019ef195b03 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [7-(furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-2-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O8/c1-4-13(2)21(27)33-19-9-16-23(29)32-18(14-7-8-30-11-14)10-24(16,3)20-17(26)6-5-15-22(28)31-12-25(15,19)20/h4-8,11,15-16,18-20H,9-10,12H2,1-3H3 |
| InChI Key | SEBUPTPBKYZXJN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O8 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [7-(Furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-2-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1c65f740-85ae-11ee-9c4b-c1111789811f.jpg "2D Structure of [7-(Furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-en-2-yl] 2-methylbut-2-enoate")
| 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 | 98.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.21% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.97% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.68% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.97% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.89% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.51% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.67% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.27% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.56% | 91.07% |
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.
| Aster verticillatus |
| PubChem | 162885902 |
| LOTUS | LTS0085316 |
| wikiData | Q105251012 |