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Quercitrin

CAT: 0013-GTR19159108-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159108-01Size:200 mg
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Description
Quercitrin is a plant-derived flavonoid compound, displays antioxidant and anti-inflammatory activities. Quercitrin can be found in a number of food items such as garden tomato (var.), German camomile, endive, and kiwi, which makes quercitrin a potential biomarker for the consumption of these food products.
CAS Number
522-12-3
Product Name Alternative
Quercitrin | Thujin
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 31 mg/mL; 69.14 mM
Smiles
C1 (c (c (=O) c2c (cc (cc2o1) O) O) O[C@H]1[C@@H] ([C@@H] ([C@H] ([C@@H] (O1) C) O) O) O) c1cc (c (cc1) O) O
Molecular Formula
C21H20O11
Molecular Weight
448.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-3- (((2S,3R,4R,5R,6S) -3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -4H-chromen-4-one

Chemical Information

Quercitrin

Quercitrin is a quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It has a role as an antioxidant, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an antileishmanial agent, an EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor and a plant metabolite. It is an alpha-L-rhamnoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glycoside. It is a conjugate acid of a quercitrin-7-olate.

CAS Number522-12-3
PubChem CID5280459
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O11
Molecular Weight448.4
XLogP0.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity741
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
InChIKey
OXGUCUVFOIWWQJ-HQBVPOQASA-N
Chemical Structure
2D Structure
2D structure of Quercitrin
CAS: 522-12-3
CID: 5280459
Formula: C21H20O11
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass448.10056145
Monoisotopic Mass448.10056145
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity741
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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