Quercetin 3,5,3'-trimethyl ether
| Internal ID | cddf563b-93ee-4d49-a62c-b083ff363033 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)O |
| InChI | InChI=1S/C18H16O7/c1-22-12-6-9(4-5-11(12)20)17-18(24-3)16(21)15-13(23-2)7-10(19)8-14(15)25-17/h4-8,19-20H,1-3H3 |
| InChI Key | VGKWUQZAFRYZOU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H16O7 |
| Molecular Weight | 344.30 g/mol |
| Exact Mass | 344.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 2.60 |
| CHEMBL182047 |
| SCHEMBL17620251 |
| LMPK12112753 |
| AKOS040763273 |
| 13459-09-1 |
| 7,4'-dihydroxy-3,5,3'-trimethoxyflavone |
| 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 | 98.04% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.28% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.60% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.83% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.78% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.01% | 94.45% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.56% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.01% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 88.64% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.20% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.22% | 80.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
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.
| Carya illinoinensis |
| Dioscorea bulbifera |
| Senna didymobotrya |
| PubChem | 14162697 |
| LOTUS | LTS0255199 |
| wikiData | Q105285859 |