3,7,8-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
| Internal ID | 2c1aa862-8190-44c8-bd57-03e0d93be443 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols |
| IUPAC Name | 3,7,8-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C16H12O7/c1-22-11-5-2-7(6-10(11)18)15-14(21)12(19)8-3-4-9(17)13(20)16(8)23-15/h2-6,17-18,20-21H,1H3 |
| InChI Key | XQQSUZHRWFDWJJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H12O7 |
| Molecular Weight | 316.26 g/mol |
| Exact Mass | 316.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 98.87% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.51% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.69% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.88% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.59% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.45% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.27% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.76% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.88% | 90.20% |
| CHEMBL3194 | P02766 | Transthyretin | 84.40% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.51% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.17% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.81% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.81% | 95.53% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.69% | 98.21% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.51% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
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.
| Acacia confusa |
| PubChem | 49835129 |
| LOTUS | LTS0126430 |
| wikiData | Q105339977 |