5,8-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
| Internal ID | 57624733-81a8-4778-ac1f-c64ad61a1f4e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5,8-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)C |
| InChI | InChI=1S/C25H24O6/c1-13(2)5-6-15-10-19(27)24-21(22(15)28)23(29)17(12-30-24)16-9-14-7-8-25(3,4)31-20(14)11-18(16)26/h5,7-12,26-28H,6H2,1-4H3 |
| InChI Key | GXDCNDSHZMIXFM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
| 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 | 99.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.72% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.88% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.34% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.81% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.19% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.49% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.11% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.60% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.41% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.95% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.05% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.97% | 93.99% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.80% | 89.34% |
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.
| Eriosema kraussianum |
| PubChem | 102510322 |
| LOTUS | LTS0130464 |
| wikiData | Q105023011 |