5,6,8,3',4'-Pentahydroxy-7-methoxyflavone
| Internal ID | bda28358-9e5e-40fe-8f45-c2133a3aae36 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,6,8-trihydroxy-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=O)C=C(OC2=C1O)C3=CC(=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C(=C2C(=O)C=C(OC2=C1O)C3=CC(=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C16H12O8/c1-23-16-13(21)12(20)11-9(19)5-10(24-15(11)14(16)22)6-2-3-7(17)8(18)4-6/h2-5,17-18,20-22H,1H3 |
| InChI Key | NTSSJRYAMLGBMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O8 |
| Molecular Weight | 332.26 g/mol |
| Exact Mass | 332.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 1.90 |
| NTSSJRYAMLGBMZ-UHFFFAOYSA-N |
| 2-(3,4-Dihydroxyphenyl)-5,6,8-trihydroxy-7-methoxy-4H-chromen-4-one # |
| 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 | 99.25% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.11% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.40% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.62% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.52% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.97% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.53% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.36% | 85.14% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.63% | 80.78% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.63% | 98.11% |
| CHEMBL3194 | P02766 | Transthyretin | 85.36% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.59% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.47% | 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.
| Centaurea spinosa |
| PubChem | 630420 |
| LOTUS | LTS0233751 |
| wikiData | Q105185644 |