Licochalcone C

CAT: 0127-BUP03482-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03482-01Size:1 mg

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CAS Number

144506-14-9

Synonyms

LICOCHALCONEC

Purity

=95%

Smiles

COc1c(\C=C\C(=O)c2ccc(O)cc2)ccc(O)c1CC=C(C)C

Chemical Information

Licochalcone C

licochalcone c has been reported in Glycyrrhiza glabra and Glycyrrhiza inflata with data available.

CAS Number	144506-14-9
PubChem CID	9840805
IUPAC Name	(E)-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Formula	C21H22O4
Molecular Weight	338.4
XLogP	4.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	484

SMILES

CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)O)O)C

InChI

InChI=1S/C21H22O4/c1-14(2)4-11-18-20(24)13-8-16(21(18)25-3)7-12-19(23)15-5-9-17(22)10-6-15/h4-10,12-13,22,24H,11H2,1-3H3/b12-7+

InChIKey

WBDNTJSRHDSPSR-KPKJPENVSA-N

Chemical Structure

2D Structure

CAS: 144506-14-9

CID: 9840805

Formula: C21H22O4

MW: 338.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	338.4
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	338.15180918
Monoisotopic Mass	338.15180918
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	484
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes