5,6-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
| Internal ID | 7c2d5e94-88ad-41d6-99b0-a30bd801f3f0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 5,6-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)O)OC)O |
| InChI | InChI=1S/C17H14O7/c1-22-11-5-8(3-4-10(11)18)9-7-24-12-6-13(23-2)16(20)17(21)14(12)15(9)19/h3-7,18,20-21H,1-2H3 |
| InChI Key | NAHSMYUGRNPXBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.60 |
| 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 | 97.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.42% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.09% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.91% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.19% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.65% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.30% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.66% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.90% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.25% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.79% | 95.53% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.36% | 80.78% |
| CHEMBL3194 | P02766 | Transthyretin | 82.39% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.13% | 94.42% |
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.
| Gaillardia suavis |
| PubChem | 14825801 |
| LOTUS | LTS0076124 |
| wikiData | Q105176244 |