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Quercetin 3,7-dimethyl ether

CAT: 1299-RG-E141112-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141112-01Size:10 mg
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CAS Number
2068-02-2
Synonyms
2- (3,4-dihydroxyphenyl) -5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Molecular Formula
C17H14O7
Molecular Weight
330.29
Target Alternative Name
Quercetin
Product Name Synonym
2- (3,4-dihydroxyphenyl) -5-hydroxy-3,7-dimethoxy-4H-chromen-4-one

Chemical Information

Quercetin 3,7-Dimethyl Ether

3',4',5-trihydroxy-3,7-dimethoxyflavone is a dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. It has a role as a metabolite and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It is a dimethoxyflavone and a trihydroxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3',4',5-trihydroxy-3,7-dimethoxyflavone(1-).

CAS Number2068-02-2
PubChem CID5280417
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP2.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity517
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
InChIKey
LUJAXSNNYBCFEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3,7-Dimethyl Ether
CAS: 2068-02-2
CID: 5280417
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity517
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