7-(4,5-Dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
| Internal ID | 978b09b4-f8ca-4ee1-90d4-93461c3ac646 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)OC)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(C=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)OC)OC)O)O |
| InChI | InChI=1S/C23H24O9/c1-11-19(25)21(27)22(29-3)23(31-11)32-18-9-16-14(8-17(18)28-2)20(26)15(10-30-16)12-4-6-13(24)7-5-12/h4-11,19,21-25,27H,1-3H3 |
| InChI Key | MKQKRADRKSIEPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O9 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.70 |
| 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 | 98.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.02% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.57% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.67% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.61% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.51% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.15% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.09% | 95.78% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.24% | 96.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.78% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.41% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.15% | 99.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.62% | 97.36% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.73% | 95.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.61% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.81% | 85.14% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.56% | 97.31% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162927886 |
| LOTUS | LTS0089952 |
| wikiData | Q104171777 |