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Davidigenin

CAT: 0013-GTR19269180Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269180Size:5 mg
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Description
Davidigenin
CAS Number
23130-26-9
Purity
>=98%
Molecular Formula
C15H14O4
Molecular Weight
258.3
Notes
For research use only.

Chemical Information

Davidigenin

Davidigenin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', and 4' respectively. It has a role as an antioxidant, a metabolite, an anti-allergic agent and an anti-asthmatic agent. It is a polyphenol and a member of dihydrochalcones. It is functionally related to a dihydrochalcone.

CAS Number23130-26-9
PubChem CID442342
IUPAC Name1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity297
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2
InChIKey
UDGKKUWYNITJRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Davidigenin
CAS: 23130-26-9
CID: 442342
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity297
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

Alternative Products

CatalogName
YAA13026-01Davidigenin

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