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Quercetagetin

CAT: 0926-FQ65384-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FQ65384-02Size:10 mg
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CAS Number
90-18-6
Synonyms
3,3',4',5,6,7-Hexahydroxyflavone
MDL Number
MFCD00017428
Smiles
OC1=C (Oc2cc (O) c (O) c (O) c2C1=O) c3ccc (O) c (O) c3
Molecular Formula
C15H10O8
Molecular Weight
318.24 g/mol
Controlled
No

Chemical Information

Quercetagetin

Quercetagetin is a hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively. It has a role as an antioxidant, an antiviral agent and a plant metabolite. It is a hexahydroxyflavone and a member of flavonols. It is functionally related to a quercetin.

CAS Number90-18-6
PubChem CID5281680
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
Molecular FormulaC15H10O8
Molecular Weight318.23
XLogP1.2
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity518
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O
InChI
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
InChIKey
ZVOLCUVKHLEPEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quercetagetin
CAS: 90-18-6
CID: 5281680
Formula: C15H10O8
MW: 318.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.23
XLogP31.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass318.03756727
Monoisotopic Mass318.03756727
Topological Polar Surface Area148 Ų
Heavy Atom Count23
Formal Charge0
Complexity518
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

Alternative Products

CatalogName
HY-N4149-01Quercetagetin
HY-N4149RQuercetagetin (Standard)
TBW00271Quercetagetin-7-O-glucopyranoside
TBZ0714Quercetagetin 3-methyl ether
TN7445-01Quercetagetin 3-methyl ether 7-glucoside
GTR19229483-01Quercetagetin 3,5,7-trimethyl ether
349627-01Quercetagetin (6-hydroxy Quercetin, NSC 115916)

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