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3-Hydroxylicochalcone A

CAT: 0013-GTR19233747-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233747-02Size:5 mg
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Description
3-Hydroxylicochalcone A is a natural chalcone derivative. Like related compounds such as Licochalcone A (IC50=15.6 μM against murine 11β-HSD2), it serves as a research tool for studying 11β-hydroxysteroid dehydrogenase type 2 (11β-HSD2) inhibition in biochemical and cellular assays.
CAS Number
1381930-98-8
Smiles
C (=C/C (=O) C1=CC=C (O) C=C1) \C2=C (OC) C (O) =C (O) C (C (C=C) (C) C) =C2
Molecular Formula
C21H22O5
Molecular Weight
354.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Hydroxylicochalcone A

5-(1,1-Dimethylallyl)-3,4,4'-trihydroxy-2-methoxychalcone has been reported in Glycyrrhiza inflata with data available.

CAS Number1381930-98-8
PubChem CID38360783
IUPAC Name(E)-3-[3,4-dihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC21H22O5
Molecular Weight354.4
XLogP4.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
CC(C)(C=C)C1=C(C(=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O)O
InChI
InChI=1S/C21H22O5/c1-5-21(2,3)16-12-14(20(26-4)19(25)18(16)24)8-11-17(23)13-6-9-15(22)10-7-13/h5-12,22,24-25H,1H2,2-4H3/b11-8+
InChIKey
WECAUVIWKBEGRA-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxylicochalcone A
CAS: 1381930-98-8
CID: 38360783
Formula: C21H22O5
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass354.14672380
Monoisotopic Mass354.14672380
Topological Polar Surface Area87 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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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