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3'-Hydroxypuerarin (Standard)

CAT: 0804-HY-N1980RSize: 1 EachDry Ice: NoHazardous: No
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Description
3'-Hydroxypuerarin (Standard) is the analytical standard of 3'-Hydroxypuerarin. This product is intended for research and analytical applications. 3'-Hydroxypuerarin is an isoflavone isolated from the roots of Pueraria lobata (Willd.) Ohwi. 3'-Hydroxypuerarin is a antioxidant, which shows marked ONOO (-), NO?, total ROS scavenging activities[1][2][3].
CAS Number
117060-54-5
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS) ; Reference Standards
Type
Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/3-hydroxypuerarin-standard.html
Smiles
O=C1C(C2=CC=C(O)C(O)=C2)=COC3=C([C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)C(O)=CC=C13
Molecular Formula
C21H20O10
Molecular Weight
432.38
References & Citations
[1]Sun Y, et al. New hepatoprotective isoflavone glucosides from Pueraria lobata (Willd.) Ohwi. Nat Prod Res. 2018 Jul 3:1-8.|[2]Zhang CL, et al. Comparative study of Puerariae lobatae and Puerariae thomsonii by HPLC-diode array detection-flow injection-chemiluminescence coupled with HPLC-electrospray ionization-MS. Chem Pharm Bull (Tokyo) . 2011;59 (5) :541-5.|[3]Jin SE, et al. Anti-inflammatory and antioxidant activities of constituents isolated from Pueraria lobata roots. Arch Pharm Res. 2012 May;35 (5) :823-37.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3'-Hydroxypuerarin

3'-Hydroxypuerarin has been reported in Pueraria montana var. lobata with data available.

CAS Number117060-54-5
PubChem CID5748205
IUPAC Name3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC21H20O10
Molecular Weight432.4
XLogP-0.3
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity698
SMILES
C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17-,18+,19-,21+/m1/s1
InChIKey
GARZMRVWLORUSR-VPRICQMDSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxypuerarin
CAS: 117060-54-5
CID: 5748205
Formula: C21H20O10
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP3-0.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass432.10564683
Monoisotopic Mass432.10564683
Topological Polar Surface Area177 Ų
Heavy Atom Count31
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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