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Glabridin

CAT: 1596-AR-G01347-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01347-04Size:100 Units
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CAS Number
59870-68-7
Synonyms
(R) -4- (8,8-dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl) benzene-1,3-diol; (R) -4- (3,4-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl) -1,3-Benzenediol; 2H,8H-Benzo[1,2-b:3,4-b']dipyran-1,3-benzenediol deriv.; Glabridin
Molecular Formula
C20H20O4
Molecular Weight
324.38
API Name
Glabridin

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
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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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