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Dihydroflavokawin B

CAT: 0013-GTR19231653-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Dihydroflavokawin B (CAS 3791-76-2) is a natural chalcone used as a research standard. It is studied in vitro for its potential antioxidant and anti-inflammatory properties, relevant to pharmacological and phytochemical research fields.
CAS Number
3791-76-2
Smiles
COc1cc (O) c (C (=O) CCc2ccccc2) c (OC) c1
Molecular Formula
C17H18O4
Molecular Weight
286.327
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one

dihydroflavokawain b has been reported in Alpinia formosana, Empetrum nigrum, and other organisms with data available.

CAS Number3791-76-2
PubChem CID270058
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
Molecular FormulaC17H18O4
Molecular Weight286.32
XLogP3.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity325
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3
InChIKey
JAJFQMZJIQDRSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
CAS: 3791-76-2
CID: 270058
Formula: C17H18O4
MW: 286.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.32
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass286.12050905
Monoisotopic Mass286.12050905
Topological Polar Surface Area55.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity325
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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