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Liquiritin 10mg

CAT: 0628-A12084-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12084-10Size:10 mg
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CAS Number
551-15-5

Chemical Information

Liquiritin

Liquiritin is a flavanone glycoside that is liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has a role as an anticoronaviral agent, an anti-inflammatory agent and a plant metabolite. It is a beta-D-glucoside, a monohydroxyflavanone, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a liquiritigenin.

CAS Number551-15-5
PubChem CID503737
IUPAC Name(2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O9
Molecular Weight418.4
XLogP0.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity593
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
InChIKey
DEMKZLAVQYISIA-ZRWXNEIDSA-N
Chemical Structure
2D Structure
2D structure of Liquiritin
CAS: 551-15-5
CID: 503737
Formula: C21H22O9
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass418.12638228
Monoisotopic Mass418.12638228
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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