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Glycyrin

CAT: 0926-RCA05618-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-RCA05618-02Size:10 mg
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CAS Number
66056-18-6
MDL Number
MFCD27968897
Smiles
CC (=CCC1=C (C=C2C (=C1OC) C=C (C (=O) O2) C3=C (C=C (C=C3) O) O) OC) C
Molecular Formula
C22H22O6
Molecular Weight
382.4 g/mol
Controlled
No

Chemical Information

Glycyrin

Glycyrin is a member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has a role as a metabolite, an antibacterial agent and a plant metabolite. It is a member of coumarins, an aromatic ether and a member of hydroxyisoflavans.

CAS Number66056-18-6
PubChem CID480787
IUPAC Name3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular FormulaC22H22O6
Molecular Weight382.4
XLogP4.7
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=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3
InChIKey
FWWGXZYUURXJLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycyrin
CAS: 66056-18-6
CID: 480787
Formula: C22H22O6
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP34.7
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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Alternative Products

CatalogName
MBS5760432Glycyrin

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