5,7-Dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
| Internal ID | 3a9c8e5c-f7a0-49bb-8d86-c7a5acb98f04 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
| InChI | InChI=1S/C16H10O7/c17-7-1-11(19)15-14(2-7)21-5-9(16(15)20)8-3-12-13(4-10(8)18)23-6-22-12/h1-5,17-19H,6H2 |
| InChI Key | SITYJJILFBZEKU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H10O7 |
| Molecular Weight | 314.25 g/mol |
| Exact Mass | 314.04265265 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.50 |
| 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 | 99.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.66% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.18% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.37% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.83% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.51% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.60% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.03% | 92.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.33% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 81.05% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.23% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.08% | 94.80% |
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.
| Sophora flavescens |
| PubChem | 157010141 |
| LOTUS | LTS0039753 |
| wikiData | Q105254035 |