Kaempferol 3,5-dimethyl ether
| Internal ID | bf9c6223-0484-4299-826c-d282b0c479cf |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O |
| InChI | InChI=1S/C17H14O6/c1-21-12-7-11(19)8-13-14(12)15(20)17(22-2)16(23-13)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3 |
| InChI Key | XMCNEMKKAQGVGK-UHFFFAOYSA-N |
| Popularity | 2 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 | 2.60 |
| 1486-65-3 |
| 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy- |
| 7,4'-Dihydroxy-3,5-dimethoxyflavone |
| 4h-1-benzopyran-4-one,7-hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy- |
| SCHEMBL15635428 |
| DTXSID10440519 |
| LMPK12112689 |
| AKOS030553471 |
| 7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-chromen-4-one |
| 7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-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 | 97.29% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.68% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.29% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.51% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 85.35% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.83% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.89% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.63% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.97% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.14% | 85.14% |
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.
| Chrysothamnus humilis |
| Dioscorea bulbifera |
| PubChem | 10470863 |
| LOTUS | LTS0128136 |
| wikiData | Q82256854 |