4,9-Dihydroxy-7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
| Internal ID | a01a2ca6-52f7-474b-b1c9-189e48501134 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
| IUPAC Name | 4,9-dihydroxy-7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=COC3=C(C4=C(C(=C3C2=O)O)OCO4)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=COC3=C(C4=C(C(=C3C2=O)O)OCO4)O |
| InChI | InChI=1S/C17H12O7/c1-21-9-4-2-8(3-5-9)10-6-22-15-11(12(10)18)13(19)16-17(14(15)20)24-7-23-16/h2-6,19-20H,7H2,1H3 |
| InChI Key | DMDPCRBIYLREQI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O7 |
| Molecular Weight | 328.27 g/mol |
| Exact Mass | 328.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4,9-Dihydroxy-7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/49-dihydroxy-7-4-methoxyphenyl-13dioxolo45-gchromen-8-one.jpg "2D Structure of 4,9-Dihydroxy-7-(4-methoxyphenyl)-[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.88% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.68% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.24% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.85% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.07% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.25% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.05% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.54% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.09% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.95% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.01% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.94% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.00% | 93.99% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.05% | 82.67% |
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.
| Spartium junceum |
| PubChem | 129650847 |
| LOTUS | LTS0091205 |
| wikiData | Q104985034 |