2-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one
| Internal ID | b26487e3-af79-4294-ab7b-71b7f6a1bf64 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2CC(C(O3)(C)C)O)O)C4=C(C=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2CC(C(O3)(C)C)O)O)C4=C(C=C(C=C4)O)O)C |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-7-15-22(30)21-18(28)11-19-16(10-20(29)25(3,4)32-19)24(21)31-23(15)14-8-6-13(26)9-17(14)27/h5-6,8-9,11,20,26-29H,7,10H2,1-4H3 |
| InChI Key | YKRQWKGDHFWDCR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/14e7f820-867e-11ee-9b52-4969fbeed8c6.jpg "2D Structure of 2-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-9,10-dihydropyrano[2,3-h]chromen-4-one")
| 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 | 99.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.83% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.65% | 91.49% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.65% | 91.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.31% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.47% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.30% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.74% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 82.41% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.29% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.25% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.37% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.93% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.30% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.25% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.04% | 85.30% |
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.
| Morus nigra |
| PubChem | 75218999 |
| LOTUS | LTS0102141 |
| wikiData | Q105349865 |