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Kaempferol 3-O-β-D-glucuronide

CAT: 0957-E7108-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E7108-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22688-78-4
Synonyms
Kaempferol-3-glucuronide, Kaempferol-3-O-glucuronide
Additionnal Information
Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide) is a metabolite of kaempferol that can be taken orally and has anti-inflammatory properties. Kaempferol 3-O-β-D-glucuronide can activate AKT/GSK3β phosphorylation and improve glucose metabolism.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Kaempferol 3-O-glucuronide

Kaempferol 3-O-glucuronide is a kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position. It has a role as a metabolite. It is a trihydroxyflavone and a kaempferol O-glucuronide.

CAS Number22688-78-4
PubChem CID5318759
IUPAC Name(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC21H18O12
Molecular Weight462.4
XLogP1
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity790
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
InChIKey
FNTJVYCFNVUBOL-ZUGPOPFOSA-N
Chemical Structure
2D Structure
2D structure of Kaempferol 3-O-glucuronide
CAS: 22688-78-4
CID: 5318759
Formula: C21H18O12
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP31
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass462.07982601
Monoisotopic Mass462.07982601
Topological Polar Surface Area203 Ų
Heavy Atom Count33
Formal Charge0
Complexity790
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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