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Naringenin chalcone

CAT: 0572-TRC-N019485-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N019485-10MGSize:10 mg
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CAS Number
25515-46-2
Synonyms
(2E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one
Hazard Statement
Causes skin irritation
Smiles
C(/C=C/C1=CC=C(O)C=C1)(=O)C2=C(O)C=C(O)C=C2O
Molecular Formula
C15H12O5
Molecular Weight
272.25
InChI
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

Chemical Information

2',4,4',6'-Tetrahydroxychalcone

2',4,4',6'-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a member of chalcones, a member of (E)-2'-hydroxy-chalcones and a polyphenol. It is functionally related to a trans-chalcone.

CAS Number25515-46-2
PubChem CID5280960
IUPAC Name(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Molecular FormulaC15H12O5
Molecular Weight272.25
XLogP2.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity347
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
InChIKey
YQHMWTPYORBCMF-ZZXKWVIFSA-N
Chemical Structure
2D Structure
2D structure of 2',4,4',6'-Tetrahydroxychalcone
CAS: 25515-46-2
CID: 5280960
Formula: C15H12O5
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass272.06847348
Monoisotopic Mass272.06847348
Topological Polar Surface Area98 Ų
Heavy Atom Count20
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
464510Naringenin Chalcone
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M28570-01Naringenin chalcone (b)
HY-N3007RNaringenin chalcone (Standard)
YCA69250-01Naringenin chalcone (cis and trans mix)
TB0241-0500Naringenin
HY-W011641-01(±) -Naringenin

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