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Kaempferol-3,4'-dimethyl ether

CAT: 0926-FK66303-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FK66303-01Size:50 mg
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CAS Number
20869-95-8
Synonyms
3,4'-Dimethoxy-5,7-dihydroxyflavone; Ermanin
MDL Number
MFCD00017440
Smiles
COC1=CC=C (C=C1) C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) OC
Molecular Formula
C17H14O6
Molecular Weight
314.29 g/mol
Controlled
No

Chemical Information

Ermanin

3,4'-dimethylkaempferol is a dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4' have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum. It has a role as an antineoplastic agent, an antimycobacterial drug, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a dimethoxyflavone and a dihydroxyflavone. It is functionally related to a kaempferol.

CAS Number20869-95-8
PubChem CID5352001
IUPAC Name5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP2.5
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity479
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
InChIKey
RJCJVIFSIXKSAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ermanin
CAS: 20869-95-8
CID: 5352001
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area85.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity479
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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