5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-methylchromen-4-one
| Internal ID | 33e12172-12eb-4747-8bc6-11ac00c874cd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-methylchromen-4-one |
| SMILES (Canonical) | CC1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)O)C(=C1OC)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)O)C(=C1OC)O |
| InChI | InChI=1S/C17H14O5/c1-9-7-14-15(16(20)17(9)21-2)12(19)8-13(22-14)10-3-5-11(18)6-4-10/h3-8,18,20H,1-2H3 |
| InChI Key | OBQMAEGCYPFNKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.29 g/mol |
| Exact Mass | 298.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.36% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.13% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.03% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.52% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.61% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.56% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.50% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.49% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 86.62% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.85% | 95.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.33% | 93.65% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.04% | 98.35% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.73% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.13% | 97.28% |
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.
| Arnica acaulis |
| PubChem | 162968218 |
| LOTUS | LTS0054387 |
| wikiData | Q105189124 |