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Quercetin 3-O-Beta-D-Glucuronide

CAT: 0572-TRC-Q509510-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Q509510-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22688-79-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@@H]1[C@@H](O)C(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O
Molecular Formula
C21 H18 O13
Molecular Weight
478.36
InChI
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21?/m0/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Querciturone

Miquelianin is a quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. It has a role as an antioxidant, a metabolite and an antidepressant. It is a beta-D-glucosiduronic acid and a quercetin O-glycoside.

CAS Number22688-79-5
PubChem CID5274585
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
Molecular FormulaC21H18O13
Molecular Weight478.4
XLogP0.6
Topological Polar Surface Area224
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity829
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
InChI
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
InChIKey
DUBCCGAQYVUYEU-ZUGPOPFOSA-N
Chemical Structure
2D Structure
2D structure of Querciturone
CAS: 22688-79-5
CID: 5274585
Formula: C21H18O13
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass478.07474062
Monoisotopic Mass478.07474062
Topological Polar Surface Area224 Ų
Heavy Atom Count34
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19261212Quercetin 3-O-β-D-glucuronide
AR-Q03821-013'-O-Methyl Quercetin 3-O-beta-D-Glucuronide
MQ09305-01Quercetin 3-O-b-D-glucuronide
427751-013'-O-Methyl Quercetin 3-O-β-D-Glucuronide
sc-476753Quercetin 7-O-β-D-Glucuronide
MBS130551-01QUERCETIN-3-O-GLUCURONIDE
GC3343-1mgQuercetin 3-D-glucuronide
MQ106505-01Quercetin 7-O-b-D-glucuronide
4277523'-O-Methyl Quercetin 3-O-β-D-Glucuronide-d3 discontinued
HY-N17672Quercetin 3-O-β-D-glucuronide 6"-ethyl ester

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