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3′-Hydroxy-4′-O-methylglabridin

CAT: 0931-T74201-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74201-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
175554-11-7
Target
Others, Reactive Oxygen Species
Related Pathways
Others, Immunology/Inflammation, NF-κB, Metabolism
Bioactivity
3′-Hydroxy-4′-O-methylglabridin effectively prevents NADH-dependent peroxidation, exhibiting potent antioxidant properties [1].
Smiles
COc1ccc([C@@H]2COc3c(C2)ccc2OC(C)(C)C=Cc32)c(O)c1O
Molecular Formula
C21H22O5
Molecular Weight
354.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Hydroxy-4'-O-methylglabridin

3'-Hydroxy-4'-O-methylglabridin has been reported in Glycyrrhiza glabra with data available.

CAS Number175554-11-7
PubChem CID15228662
IUPAC Name3-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-6-methoxybenzene-1,2-diol
Molecular FormulaC21H22O5
Molecular Weight354.4
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity532
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C(=C(C=C4)OC)O)O)C
InChI
InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m0/s1
InChIKey
PPBISUGOQDBBEL-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxy-4'-O-methylglabridin
CAS: 175554-11-7
CID: 15228662
Formula: C21H22O5
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass354.14672380
Monoisotopic Mass354.14672380
Topological Polar Surface Area68.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity532
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

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