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3-O-Methylquercetin

CAT: 0607-BA8191-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8191-5Size:5 mg
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CAS Number
1486-70-0
Form
A solid
Molecular Formula
C16H12O7
Molecular Weight
316.26
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-Methoxyluteolin

3',4',5,7-tetrahydroxy-3-methoxyflavone is a tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position. It has a role as a metabolite and an antimicrobial agent. It is a monomethoxyflavone and a tetrahydroxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3',4',5-trihydroxy-3-methoxyflavon-7-olate.

CAS Number1486-70-0
PubChem CID5280681
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
Molecular FormulaC16H12O7
Molecular Weight316.26
XLogP2.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity503
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
InChIKey
WEPBGSIAWZTEJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxyluteolin
CAS: 1486-70-0
CID: 5280681
Formula: C16H12O7
MW: 316.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.26
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass316.05830272
Monoisotopic Mass316.05830272
Topological Polar Surface Area116 Ų
Heavy Atom Count23
Formal Charge0
Complexity503
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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Alternative Products

CatalogName
E6044-013-O-Methylquercetin
HY-N18613-O-Methylquercetin tetraacetate
3791343,7-Di-O-methylquercetin
AB35833-O-Methylquercetin 7-O-β-D-glucopyranoside
T126015-015,7-Di-O-methylquercetin

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