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7,3′,4′-Trimethoxyquercetin

CAT: 1407-AB2014Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2014Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6068-80-0
Purity
98% (HPLC)
Molecular Formula
C18H16O7
Molecular Weight
344.315

Chemical Information

Quercetin 3',4',7-trimethyl ether

Quercetin 7,3',4'-trimethyl ether is a trimethoxyflavone that is the 7,3',4'-trimethyl ether derivative of quercetin. It has been isolated from Euodia confusa. It has a role as a metabolite and a plant metabolite. It is a member of 3'-methoxyflavones, a trimethoxyflavone, a member of flavonols and a dihydroxyflavone. It is functionally related to a quercetin.

CAS Number6068-80-0
PubChem CID5748558
IUPAC Name2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one
Molecular FormulaC18H16O7
Molecular Weight344.3
XLogP2.5
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity532
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)OC
InChI
InChI=1S/C18H16O7/c1-22-10-7-11(19)15-14(8-10)25-18(17(21)16(15)20)9-4-5-12(23-2)13(6-9)24-3/h4-8,19,21H,1-3H3
InChIKey
OEEUHNAUMMATJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3',4',7-trimethyl ether
CAS: 6068-80-0
CID: 5748558
Formula: C18H16O7
MW: 344.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass344.08960285
Monoisotopic Mass344.08960285
Topological Polar Surface Area94.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity532
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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