Cirsimaritin
| Internal ID | 1f45ea85-c793-4bc7-bd64-7aa895c54fc9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC |
| InChI | InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 |
| InChI Key | ZIIAJIWLQUVGHB-UHFFFAOYSA-N |
| Popularity | 248 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.00 |
| 6601-62-3 |
| Scrophulein |
| Skrofulein |
| 7-Methylcapillarisin |
| 4',5-Dihydroxy-6,7-dimethoxyflavone |
| 6-Methoxygenkwanin |
| cirsimartin |
| 6,7-Dimethoxyscutellarein |
| F59VJ7UX6B |
| CIRCIMARITIN |
| 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 |
|---|---|---|---|---|---|
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor |
1720 nM |
Ki |
PMID: 8576921
|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
39810.7 nM 39810.7 nM |
Potency Potency |
via CMAUP
via CMAUP |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.02% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.92% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.17% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.35% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.06% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 89.48% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.01% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.50% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.38% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.00% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.96% | 95.78% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.35% | 98.35% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.62% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.54% | 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 | 188323 |
| NPASS | NPC120163 |
| ChEMBL | CHEMBL348436 |
| LOTUS | LTS0146305 |
| wikiData | Q27155276 |