5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methylchromen-4-one
| Internal ID | 05aa578c-3ee7-4695-a28d-853435829ad1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methylchromen-4-one |
| SMILES (Canonical) | CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC |
| SMILES (Isomeric) | CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC |
| InChI | InChI=1S/C17H14O6/c1-8-11(19)7-12(20)13-14(21)17(22-2)16(23-15(8)13)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3 |
| InChI Key | GNZBJYUXSRCHGD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.20 |
| 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 | 98.03% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.85% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.58% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.28% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.98% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.05% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.04% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.12% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.58% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.83% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 81.77% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 16079899 |
| LOTUS | LTS0136848 |
| wikiData | Q105013487 |