7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone
| Internal ID | 1c3f9066-f405-4d5f-88d3-8f92a37e361f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)O)OC |
| InChI | InChI=1S/C18H16O8/c1-23-11-6-9(19)7-12-14(11)16(22)18(25-3)17(26-12)8-4-10(20)15(21)13(5-8)24-2/h4-7,19-21H,1-3H3 |
| InChI Key | ODRBLEJSVVCENJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.20 |
| LMPK12112782 |
| 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 | 98.96% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.56% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.29% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.02% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.63% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 89.93% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.00% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.71% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.71% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.15% | 94.42% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 85.13% | 98.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.82% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.99% | 85.14% |
| CHEMBL2424 | Q04760 | Glyoxalase I | 83.09% | 91.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.94% | 99.23% |
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.
| Eugenia selloi |
| PubChem | 44259711 |
| LOTUS | LTS0262893 |
| wikiData | Q105189983 |