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Quercetin

CAT: 0013-GTR19163548-02Size: 1 gDry Ice: NoHazardous: No
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Description
Quercetin, a natural flavonoid present in vegetables, fruit and wine, is a stimulator of recombinant SIRT1 and also a PI3K inhibitor with IC50 of 2.4-5.4 μM. Phase 4. (In Vitro) :Quercetin is a type of plant-based chemical, or phytochemical, used as an ingredient in supplements, beverages or foods. In several studies, it may have anti-inflammatory and antioxidant properties, and it is being investigated for a wide range of potential health benefits. Quercetin is a PI3K inhibitor with IC50 of 2.4-5.4 μM. Quercetin strongly abrogates PI3K and Src kinases, mildly inhibits Akt1/2, and slightly affected PKC, p38 and ERK1/2. Quercetin inhibits TNF-induced LDH% release, EC-dependent neutrophils adhesion to bovine pulmonary artery endothelial cells (BPAEC), and BPAEC DNA synthesis and proliferation. (In Vivo) :Combination of Quercetin (75 mg/kg) and 2-Methoxyestradiol enhances inhibition of human prostate cancer LNCaP and PC-3 cells xenograft tumor growth.
CAS Number
117-39-5
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Ethanol: 10 mg/mL (33.08 mM) ; DMSO: 61 mg/mL (201.82 mM)
Smiles
OC1=CC (O) =C2C (OC (=C (O) C2=O) C2=CC (O) =C (O) C=C2) =C1
Molecular Formula
C15H10O7
Molecular Weight
302.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Quercetin

Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has a role as a geroprotector, an antioxidant, an antibacterial agent, an antineoplastic agent, a protein kinase inhibitor, a chelator, a radical scavenger, an Aurora kinase inhibitor, a plant metabolite, a phytoestrogen and an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a quercetin-7-olate.

CAS Number117-39-5
PubChem CID5280343
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular FormulaC15H10O7
Molecular Weight302.23
XLogP1.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity488
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKey
REFJWTPEDVJJIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quercetin
CAS: 117-39-5
CID: 5280343
Formula: C15H10O7
MW: 302.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.23
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass302.04265265
Monoisotopic Mass302.04265265
Topological Polar Surface Area127 Ų
Heavy Atom Count22
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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