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Licochalcone E

CAT: 1410-M31776-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Licochalcone E is a potential LXRβ agonist.
CAS Number
864232-34-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
338.4
Molecular Formula
C21H22O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Licochalcone E

Licochalcone E has been reported in Glycyrrhiza inflata with data available.

CAS Number864232-34-8
PubChem CID46209991
IUPAC Name(E)-3-[4-hydroxy-2-methoxy-5-[(2S)-3-methylbut-3-en-2-yl]phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
C[C@H](C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O)C(=C)C
InChI
InChI=1S/C21H22O4/c1-13(2)14(3)18-11-16(21(25-4)12-20(18)24)7-10-19(23)15-5-8-17(22)9-6-15/h5-12,14,22,24H,1H2,2-4H3/b10-7+/t14-/m0/s1
InChIKey
SWPKMTGYQGHLJS-RNVIBTMRSA-N
Chemical Structure
2D Structure
2D structure of Licochalcone E
CAS: 864232-34-8
CID: 46209991
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.15180918
Monoisotopic Mass338.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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