Structure via PubChem · Public domain (PubChem)
querciturone
Sign in to saveAlso known as quercetin-3-O-beta-D-glucuronopyranoside, quercetin 3-O-glucuronide, quercituron, miquelianin
Miquelianin (quercetin 3-O-glucuronide) is a flavonol glucuronide, a type of phenolic compound present in wine, in species of St John's wort, like Hypericum hirsutum, in Nelumbo nucifera (Indian lotus) or in green beans.
Chemical data
- Formula
- C21H18O13
- Molecular weight
- 478.4 g/mol
- IUPAC name
- (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
- InChIKey
- DUBCCGAQYVUYEU-ZUGPOPFOSA-N
- XLogP
- 0.6
- Polar surface area
- 224 Ų
- H-bond donors
- 8
- H-bond acceptors
- 13
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 478.075
Show 4 more facts
- found in taxon
- Salvia officinalis
- chemical formula
- C₂₁H₁₈O₁₃
- canonical SMILES
- C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
- isomeric SMILES
- C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- See also
- References
{{chembox | Name = Miquelianin | ImageFile = Miquelianin.svg | ImageName = Chemical structure of miquelianin | IUPACName = 3′,4′,5,7-Tetrahydroxy-4-oxoflav-2-en-3-yl β-D-glucopyranosiduronic acid | SystematicName = (2S,3S,4S,5R,6S)-6-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid | OtherNames = Quercetin 3-O-glucuronideQuercetol glucuronideQuercetin 3-glucuronideQuercetol 3-O-glucuronidequercetin 3-O-β-D-glucuronopyranosideQuerciturone |Section1= |Section2= }}
Miquelianin (quercetin 3-O-glucuronide) is a flavonol glucuronide, a type of phenolic compound present in wine, in species of St John's wort, like Hypericum hirsutum, in Nelumbo nucifera (Indian lotus) or in green beans.
Excerpted from Wikipedia’s “querciturone” article, available under the CC BY-SA 4.0 licence.