3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
| Internal ID | 7f06927a-4ad9-49f9-8844-8f134eceacfd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | 7,9-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)C3=C(C(=O)C4=C(C5=C(C=C4O3)OCO5)OC)OC |
| SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)C3=C(C(=O)C4=C(C5=C(C=C4O3)OCO5)OC)OC |
| InChI | InChI=1S/C20H16O9/c1-22-11-4-9(5-12-17(11)27-7-25-12)16-20(24-3)15(21)14-10(29-16)6-13-18(19(14)23-2)28-8-26-13/h4-6H,7-8H2,1-3H3 |
| InChI Key | XOQCFHSJZRFZEQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O9 |
| Molecular Weight | 400.30 g/mol |
| Exact Mass | 400.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 2.90 |
| CHEBI:189764 |
| LMPK12113042 |
| 7,9-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-g]chromen-8-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.33% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.30% | 91.11% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.16% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.61% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.87% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.59% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.37% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.40% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.23% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.93% | 96.09% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 83.76% | 85.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.47% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.68% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.56% | 82.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.97% | 93.99% |
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.
| Persicaria minor |
| PubChem | 14704648 |
| LOTUS | LTS0247608 |
| wikiData | Q105337867 |