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Quercetin

CAT: 1568-C08521-02Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C08521-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117-39-5
Synonyms
Sophoretin, C.I. 75720, NSC 9221
SKU
C08521-100mg
Target
Src
Applications
Protein Tyrosine Kinase
Smiles
C1=CC (=C (C=C1C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) O) O) O
Molecular Formula
C15H10O7
Additionnal Information
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. Quercetin induces mitophagy, apoptosis and protective autophagy. Phase 4.
Storage Conditions
2 years -80 in solvent

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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