Licochalcone D

CAT: 0926-XL173147-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-XL173147-02Size:2 mg

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CAS Number

144506-15-0

Smiles

CC (=CCC1=C (C=CC (=C1) C (=O) /C=C/C2=C (C (=C (C=C2) O) O) OC) O) C

Molecular Formula

C21H22O5

Molecular Weight

354.4 g/mol

Controlled

Chemical Information

Licochalcone D

licochalcone d has been reported in Glycyrrhiza inflata with data available.

CAS Number	144506-15-0
PubChem CID	10473311
IUPAC Name	(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Molecular Formula	C21H22O5
Molecular Weight	354.4
XLogP	4.5
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	522

SMILES

CC(=CCC1=C(C=CC(=C1)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)OC)O)C

InChI

InChI=1S/C21H22O5/c1-13(2)4-5-15-12-16(8-10-18(15)23)17(22)9-6-14-7-11-19(24)20(25)21(14)26-3/h4,6-12,23-25H,5H2,1-3H3/b9-6+

InChIKey

RETRVWFVEFCGOK-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 144506-15-0

CID: 10473311

Formula: C21H22O5

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	354.14672380
Monoisotopic Mass	354.14672380
Topological Polar Surface Area	87 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	522
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

Catalog	Name
FL46247-01	Licochalcone A
PJB23234-01	Licochalcone E
FL73852-01	Licochalcone C
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH