Sinensetin
| Internal ID | 52f498f8-3ed1-4dff-9256-4a7878a5c3bc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| InChI | InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 |
| InChI Key | LKMNXYDUQXAUCZ-UHFFFAOYSA-N |
| Popularity | 274 references in papers |
| Molecular Formula | C20H20O7 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.00 |
| 2306-27-6 |
| Pedalitin permethyl ether |
| 5,6,7,3',4'-Pentamethoxyflavone |
| 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one |
| 3',4',5,6,7-Pentamethoxyflavone |
| 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- |
| UNII-240LNZ51AT |
| 240LNZ51AT |
| CHEBI:9159 |
| 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one |
| 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 |
|---|---|---|---|---|---|
| CHEMBL5393 | Q9UNQ0 | ATP-binding cassette sub-family G member 2 |
9000 nM 8300 nM |
IC50 IC50 |
PMID: 21354800
PMID: 21354800 |
| CHEMBL4302 | P08183 | P-glycoprotein 1 |
29000 nM 3200 nM |
IC50 IC50 |
PMID: 21354800
PMID: 15240100 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.94% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.13% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.97% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.89% | 89.00% |
| CHEMBL5903 | Q04771 | Activin receptor type-1 | 85.11% | 89.93% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.07% | 94.03% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 84.91% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.64% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.02% | 95.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.69% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.08% | 92.98% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.46% | 86.92% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.72% | 96.21% |
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 | 145659 |
| NPASS | NPC215932 |
| ChEMBL | CHEMBL226507 |
| LOTUS | LTS0085325 |
| wikiData | Q3484909 |