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Hispaglabridin A

CAT: 0013-GTR19221422-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221422-02Size:50 mg
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Description
Hispaglabridin A is a potent antioxidant that effectively inhibits lipid peroxidation. This small molecule is utilized in research areas such as oxidative stress, studying its protective roles in both cellular (in vitro) and animal (in vivo) models of related diseases.
CAS Number
68978-03-0
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
CC (C) =CCc1c (O) ccc ([C@@H]2COc3c (C2) ccc2OC (C) (C) C=Cc32) c1O
Molecular Formula
C25H28O4
Molecular Weight
392.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hispaglabridin A

Hispaglabridin A is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' , a 3-methylbut-2-en-1-yl group at position 3' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. It has a role as a plant metabolite. It derives from a hydride of a (R)-isoflavan.

CAS Number68978-03-0
PubChem CID442774
IUPAC Name4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Molecular FormulaC25H28O4
Molecular Weight392.5
XLogP5.8
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity635
SMILES
CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1
InChIKey
HZHXMXSXYQCAIG-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Hispaglabridin A
CAS: 68978-03-0
CID: 442774
Formula: C25H28O4
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass392.19875937
Monoisotopic Mass392.19875937
Topological Polar Surface Area58.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity635
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
HY-142099Hispaglabridin A

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