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Dehydroglyasperin C

CAT: 0013-GTR19181695-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181695-02Size:5 mg
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Description
Dehydroglyasperin C is a potent inducer of NQO1 and phase 2 enzymes, exhibiting strong antioxidant and chemopreventive properties. Its neuroprotective action against glutamate-induced oxidative stress in neuronal cells is mediated through the Nrf2-Keap1 and PI3K/AKT pathways, leading to HO-1 upregulation, as demonstrated in vitro.
CAS Number
199331-35-6
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Molecular Biology, Neuroscience, Signal Transduction
Smiles
COc1c (CC=C (C) C) c (O) cc2OCC (=Cc12) c1ccc (O) cc1O
Molecular Formula
C21H22O5
Molecular Weight
354.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dehydroglyasperin C

dehydroglyasperin c has been reported in Glycyrrhiza uralensis and Glycyrrhiza aspera with data available.

CAS Number199331-35-6
PubChem CID480775
IUPAC Name4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
Molecular FormulaC21H22O5
Molecular Weight354.4
XLogP4.3
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity539
SMILES
CC(=CCC1=C(C2=C(C=C1O)OCC(=C2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3
InChIKey
UACNRZUVCUEUPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dehydroglyasperin C
CAS: 199331-35-6
CID: 480775
Formula: C21H22O5
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass354.14672380
Monoisotopic Mass354.14672380
Topological Polar Surface Area79.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
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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