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Licoricone

CAT: 0931-T3831-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T3831-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51847-92-8
Target
Antifection, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Licoricone exhibits anti-helicobacter pylori activity against the CLAR and AMOX-resistant strain as well as four CLAR (AMOX) -sensitive strains.
Smiles
COc1cc(O)c(c(OC)c1CC=C(C)C)-c1coc2cc(O)ccc2c1=O
Molecular Formula
C22H22O6
Molecular Weight
382.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Licoricone

Licoricone is a hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6', methoxy groups at positions 2' and 4' and a prenyl group at position 3'. It has been isolated from Glycyrrhiza uralensis. It has a role as an antibacterial agent and a plant metabolite. It is a member of 4'-methoxyisoflavones and a hydroxyisoflavone. It is functionally related to an isoflavone.

CAS Number51847-92-8
PubChem CID5319013
IUPAC Name7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Molecular FormulaC22H22O6
Molecular Weight382.4
XLogP4.3
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity623
SMILES
CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
InChI
InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3
InChIKey
GGWMNTNDTRKETA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Licoricone
CAS: 51847-92-8
CID: 5319013
Formula: C22H22O6
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.14163842
Monoisotopic Mass382.14163842
Topological Polar Surface Area85.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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