2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | 5f32a4c1-abb7-4b16-af94-2bcebeb09327 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)O)C |
| SMILES (Isomeric) | CC(=CC(C1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)O)C |
| InChI | InChI=1S/C25H24O7/c1-12(2)9-17(28)20-22(30)21-18(29)11-19-15(7-8-25(3,4)32-19)24(21)31-23(20)14-6-5-13(26)10-16(14)27/h5-11,17,26-29H,1-4H3 |
| InChI Key | JLXVVGBAZGCWMJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/340cbec0-8522-11ee-b82c-33ea6fb9c430.jpg "2D Structure of 2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-8,8-dimethylpyrano[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 | 99.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.09% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.48% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.54% | 98.35% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.39% | 91.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.96% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.63% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.54% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.15% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.28% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.74% | 85.30% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.65% | 93.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.08% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 82.77% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.22% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.67% | 91.49% |
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.
| Artocarpus altilis |
| PubChem | 59846966 |
| LOTUS | LTS0047198 |
| wikiData | Q105131195 |