5,6,7-Trihydroxy-3-(4-methoxyphenyl)chromen-4-one
| Internal ID | 4e7c4871-042c-489f-a7b1-ece4426a9d1d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
| IUPAC Name | 5,6,7-trihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)O)O |
| InChI | InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)10-7-22-12-6-11(17)15(19)16(20)13(12)14(10)18/h2-7,17,19-20H,1H3 |
| InChI Key | DXRCZIARKKLMLL-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.60 |
| 5,6,7-trihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| 4'-methoxy-5,6,7-trihydroxyisoflavone |
| 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% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.46% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.88% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.89% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.71% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.30% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.09% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.52% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.44% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.70% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.46% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.78% | 90.71% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.27% | 91.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.93% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.89% | 95.89% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.79% | 95.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.29% | 91.71% |
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.
| Klasea centauroides subsp. strangulata |
| PubChem | 9814826 |
| LOTUS | LTS0128969 |
| wikiData | Q104991162 |