5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
| Internal ID | 500940f7-5010-4613-a279-37ac63b9deef |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C2=COC3=C4C=CC(OC4=C(C(=C3C2=O)O)CC=C(C)C)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C2=COC3=C4C=CC(OC4=C(C(=C3C2=O)O)CC=C(C)C)(C)C)O)C |
| InChI | InChI=1S/C30H32O5/c1-17(2)7-9-20-15-19(10-12-24(20)31)23-16-34-29-22-13-14-30(5,6)35-28(22)21(11-8-18(3)4)26(32)25(29)27(23)33/h7-8,10,12-16,31-32H,9,11H2,1-6H3 |
| InChI Key | FROPDIHHPYQQQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O5 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/11565ba0-8758-11ee-8988-11251521ae0f.jpg "2D Structure of 5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[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 | 99.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.85% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.68% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.60% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.81% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.08% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 91.29% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.16% | 94.75% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.15% | 96.12% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.91% | 91.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.73% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.22% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.84% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.49% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.09% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.02% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.32% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 25231268 |
| LOTUS | LTS0252861 |
| wikiData | Q105263967 |