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Glabridin

CAT: 0127-OR1027505-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1027505-02Size:250 mg
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CAS Number
59870-68-7
Synonyms
4-[ (3R) -8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Purity
98%
Smiles
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C

Chemical Information

Glabridin

Glabridin is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. It has a role as an antiplasmodial drug. It derives from a hydride of a (R)-isoflavan.

CAS Number59870-68-7
PubChem CID124052
IUPAC Name4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Molecular FormulaC20H20O4
Molecular Weight324.4
XLogP3.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity488
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey
LBQIJVLKGVZRIW-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Glabridin
CAS: 59870-68-7
CID: 124052
Formula: C20H20O4
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass324.13615911
Monoisotopic Mass324.13615911
Topological Polar Surface Area58.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FG41835Glabridin
GTR19277800-01(±) -Glabridin

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