7-(4-Ethenyl-4,6-dimethyl-5-oxo-2,3-dihydropyrano[2,3-b]chromen-2-yl)-2,6-dimethylhepta-2,6-dienal
| Internal ID | e76bd588-4913-45d9-8b19-49b5d8e7bc7d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-(4-ethenyl-4,6-dimethyl-5-oxo-2,3-dihydropyrano[2,3-b]chromen-2-yl)-2,6-dimethylhepta-2,6-dienal |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O4/c1-6-25(5)14-19(13-16(2)9-7-10-17(3)15-26)28-24-22(25)23(27)21-18(4)11-8-12-20(21)29-24/h6,8,10-13,15,19H,1,7,9,14H2,2-5H3 |
| InChI Key | GBIHCVINTFQKQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 7-(4-Ethenyl-4,6-dimethyl-5-oxo-2,3-dihydropyrano[2,3-b]chromen-2-yl)-2,6-dimethylhepta-2,6-dienal](https://plantaedb.com/storage/docs/compounds/2023/11/7-4-ethenyl-46-dimethyl-5-oxo-23-dihydropyrano23-bchromen-2-yl-26-dimethylhepta-26-dienal.jpg "2D Structure of 7-(4-Ethenyl-4,6-dimethyl-5-oxo-2,3-dihydropyrano[2,3-b]chromen-2-yl)-2,6-dimethylhepta-2,6-dienal")
| 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 | 98.65% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.47% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.81% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.05% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.02% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.79% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.70% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.35% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.24% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.23% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.00% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.69% | 88.56% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.95% | 96.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.75% | 96.25% |
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.
| Triptilion spinosum |
| PubChem | 162877102 |
| LOTUS | LTS0081439 |
| wikiData | Q105005869 |