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Quercetin 3,3'-dimethyl ether

CAT: 0931-TN4875-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4875-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4382-17-6
Target
Others
Related Pathways
Others
Bioactivity
Quercetin 3,3'-dimethyl ether (3,3'-Di-O-methylquercetin) is an aromatic compound from the fruits of Narthecium ossifragum L with antioxidant activity.
Smiles
O=C1C(OC)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC)C3
Molecular Formula
C17H14O7
Molecular Weight
330.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,3'-di-O-methylquercetin

3,3'-dimethylquercetin is a dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3' have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties. It has a role as an antibacterial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a member of 3'-methoxyflavones, a dimethoxyflavone and a trihydroxyflavone. It is functionally related to a quercetin.

CAS Number4382-17-6
PubChem CID5316900
IUPAC Name5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-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=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
InChI
InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChIKey
FMEHGPQTMOPUGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-di-O-methylquercetin
CAS: 4382-17-6
CID: 5316900
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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Alternative Products

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GTR19260414-01Quercetin 3,3-dimethyl ether
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