4',7-Dihydroxy-3',5'-dimethoxyisoflavone
| Internal ID | f17850f7-4ce2-4027-9c6c-a856621e9ff2 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids > 3-O-methylisoflavones |
| IUPAC Name | 7-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2=COC3=C(C2=O)C=CC(=C3)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C2=COC3=C(C2=O)C=CC(=C3)O |
| InChI | InChI=1S/C17H14O6/c1-21-14-5-9(6-15(22-2)17(14)20)12-8-23-13-7-10(18)3-4-11(13)16(12)19/h3-8,18,20H,1-2H3 |
| InChI Key | KAAIDCFNSXASKK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.40 |
| CHEMBL457942 |
| InChI=1/C17H14O6/c1-21-14-5-9(6-15(22-2)17(14)20)12-8-23-13-7-10(18)3-4-11(13)16(12)19/h3-8,18,20H,1-2H |
| 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 | 98.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.22% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.20% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.40% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.92% | 86.33% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 88.90% | 98.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.38% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.90% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 83.26% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.14% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.78% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.48% | 98.35% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.94% | 98.11% |
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.
| Tephrosia purpurea |
| PubChem | 5323742 |
| LOTUS | LTS0117485 |
| wikiData | Q105137756 |