Quercetagetin 3-methyl ether
Internal ID | 9fb3f733-5b6b-4fd9-9e8c-7fea5d64341f |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one |
SMILES (Canonical) | COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O |
SMILES (Isomeric) | COC1=C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O |
InChI | InChI=1S/C16H12O8/c1-23-16-14(22)11-10(5-9(19)12(20)13(11)21)24-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3 |
InChI Key | QZAXKZRZMAXPSF-UHFFFAOYSA-N |
Popularity | 3 references in papers |
Molecular Formula | C16H12O8 |
Molecular Weight | 332.26 g/mol |
Exact Mass | 332.05321734 g/mol |
Topological Polar Surface Area (TPSA) | 137.00 Ų |
XlogP | 2.10 |
CHEMBL478439 |
64190-88-1 |
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one |
3',4',5,6,7-Pentahydroxy-3-methoxyflavone |
DTXSID70214394 |
CHEBI:168270 |
BDBM50412299 |
LMPK12112984 |
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxy- |

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 | 99.31% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.21% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.42% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.19% | 99.15% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.65% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.83% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.74% | 94.73% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.05% | 80.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.52% | 98.11% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.49% | 94.42% |
CHEMBL3194 | P02766 | Transthyretin | 82.46% | 90.71% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.72% | 90.71% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.57% | 95.50% |
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.
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PubChem | 5320475 |
NPASS | NPC214138 |
ChEMBL | CHEMBL478439 |
LOTUS | LTS0212838 |
wikiData | Q83090227 |