Cirsiliol
| Internal ID | cbe22baf-a1fe-4064-8bc9-3b008e1850d6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC |
| InChI | InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 |
| InChI Key | IMEYGBIXGJLUIS-UHFFFAOYSA-N |
| Popularity | 125 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.60 |
| 34334-69-5 |
| 3',4',5-Trihydroxy-6,7-dimethoxyflavone |
| 6,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE |
| 6,7-Dimethoxy-5,3',4'-trihydroxyflavone |
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
| 8W4Y5JK3XE |
| CHEMBL72637 |
| CHEBI:3719 |
| 3',4',5-trihydroxy-6,7-dimethoxy-flavone |
| 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy- |
| 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 | 99.27% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.65% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.14% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.01% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.43% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.08% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 90.27% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.95% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.38% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.78% | 80.78% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.71% | 98.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.23% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.79% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.65% | 94.73% |
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.
| PubChem | 160237 |
| NPASS | NPC25270 |
| ChEMBL | CHEMBL72637 |
| LOTUS | LTS0070414 |
| wikiData | Q27106177 |