5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
| Internal ID | 031691cd-bc8c-4e6d-a40f-32ec0c99de45 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 9-hydroxy-7-(3-hydroxy-2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| SMILES (Canonical) | COC1=C(C=CC=C1O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4 |
| SMILES (Isomeric) | COC1=C(C=CC=C1O)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4 |
| InChI | InChI=1S/C17H12O7/c1-21-16-8(3-2-4-10(16)18)9-6-22-11-5-12-17(24-7-23-12)15(20)13(11)14(9)19/h2-6,18,20H,7H2,1H3 |
| InChI Key | OAYKQFMUHNRKTM-UHFFFAOYSA-N |
| Popularity | 1 reference 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 |
| LMPK12050368 |
| 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 | 99.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.95% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.41% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.69% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.17% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.86% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.66% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.40% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.78% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.36% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.61% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.88% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.37% | 82.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.79% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.13% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.57% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.03% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 14630600 |
| LOTUS | LTS0057094 |
| wikiData | Q105188891 |