2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
| Internal ID | ae5b5241-bc11-4b1b-937c-31037abb419a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one |
| SMILES (Canonical) | CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)C)O |
| SMILES (Isomeric) | CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)C)O |
| InChI | InChI=1S/C18H16O7/c1-7-13(21)8(2)16-12(14(7)22)15(23)18(24-3)17(25-16)9-4-5-10(19)11(20)6-9/h4-6,19-22H,1-3H3 |
| InChI Key | WRASMIGJWWJAAJ-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H16O7 |
| Molecular Weight | 344.30 g/mol |
| Exact Mass | 344.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.20 |
| Trimethyl-quercetin |
| LMPK12112724 |
| 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 | 99.21% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.79% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.83% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.12% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.95% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.36% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.18% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.92% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.48% | 98.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.31% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.27% | 90.71% |
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.
| Piliostigma thonningii |
| PubChem | 10783637 |
| LOTUS | LTS0113241 |
| wikiData | Q105311132 |