5,7-Dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
| Internal ID | 2020999e-6d7c-4d42-89c4-62aff50a8d35 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=CC(=C3)OC)O)C)O |
| SMILES (Isomeric) | CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=CC(=C3)OC)O)C)O |
| InChI | InChI=1S/C18H18O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-6-10(23-3)4-5-12(11)19/h4-6,14,19,21-22H,7H2,1-3H3 |
| InChI Key | LQXKAIKFJZYCKC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.10 |
| 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 | 99.04% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.30% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.30% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.54% | 91.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.14% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.12% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.76% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.10% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.81% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.75% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.35% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.06% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.01% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.77% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.04% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.75% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.39% | 92.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.33% | 91.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.60% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.62% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.59% | 91.03% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.10% | 96.12% |
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.
| Dryopteris crassirhizoma |
| PubChem | 14159525 |
| LOTUS | LTS0208978 |
| wikiData | Q105155950 |