5,4'-Dihydroxy-7,3'-dimethoxyisoflavone
| Internal ID | 401d44da-f00c-4efc-8ebb-917b22cdc891 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC)O |
| InChI | InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-11(17(16)20)9-3-4-12(18)14(5-9)22-2/h3-8,18-19H,1-2H3 |
| InChI Key | NMQZMHHAWZDJOJ-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 | 3.00 |
| 104668-88-4 |
| 5,4'-Dihydroxy-7,3'-dimethoxyisoflavone |
| 7,3'-Dimethylorobol |
| 4',5-dihydroxy-3',7-dimethoxyisoflavone |
| 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one |
| 3',7-Di-O-methylorobol |
| CHEMBL4173249 |
| CHEBI:175017 |
| DTXSID401314292 |
| LMPK12050356 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.70% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.46% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.44% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.04% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.10% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.65% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.82% | 89.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.74% | 88.48% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.17% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 86.19% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.15% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.86% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.60% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.62% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.87% | 80.78% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.11% | 97.28% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.10% | 95.53% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.16% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.14% | 93.65% |
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.
| Agnorhiza invenusta |
| Gaillardia suavis |
| Wyethia helenioides |
| Wyethia mollis |
| PubChem | 13845970 |
| LOTUS | LTS0269954 |
| wikiData | Q105181929 |