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4'-Methylchrysoeriol

CAT: 0013-GTR19206612-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206612-02Size:1 mg
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Description
4'-Methylchrysoeriol, also known as 3',4'-dimethoxyluteolin, is a cytochrome P450 inhibitor isolated from Cyperus conglomeratus. This small molecule is utilized in research applications, including in vitro and in vivo studies, for investigating neurological and cardiovascular disorders.
CAS Number
4712-12-3
Product Name Alternative
P450, 3',4'-dimethoxyluteolin, 4' Methylchrysoeriol, 4'Methylchrysoeriol, 4'-Methylchrysoeriol
Field of Research
Metabolism Research
Purity
98.40% (May vary between batches)
Solubility
H2O:< 0.1 mg/mL (insoluble) ; DMSO:20 mg/mL (63.64 mM)
Smiles
O=C1C=C (OC=2C=C (O) C=C (O) C12) C=3C=CC (OC) =C (OC) C3
Molecular Formula
C17H14O6
Molecular Weight
314.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kampferol-3,4'-dimethyl ether

Kampferol-3,4'-dimethyl ether has been reported in Salvia officinalis, Rhynchosia beddomei, and other organisms with data available.

CAS Number4712-12-3
PubChem CID5351234
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP2
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity476
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC
InChI
InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3
InChIKey
AOLOMULCAJQEIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kampferol-3,4'-dimethyl ether
CAS: 4712-12-3
CID: 5351234
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32
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
Complexity476
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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