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Naringenin-4'-O-β-D-glucuronide

CAT: 0013-GTR19274761-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274761-01Size:10 mg
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Description
Naringenin-4'-O-β-D-glucuronide is a metabolite of Naringenin chalcone. It functions to inhibit the release of histamine.
CAS Number
158196-35-1
Smiles
O=C1C=2C (O[C@@H] (C1) C3=CC=C (O[C@@H]4O[C@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]4O) C=C3) =CC (O) =CC2O
Molecular Formula
C21H20O11
Molecular Weight
448.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Naringenin-4'-O-glucuronide
CAS Number158196-35-1
PubChem CID52224404
IUPAC Name(2S,3S,4S,5R,6S)-6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC21H20O11
Molecular Weight448.4
XLogP0.8
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity693
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16-,17-,18+,19-,21+/m0/s1
InChIKey
DFIUUCDSSKATFP-CGXGPNJMSA-N
Chemical Structure
2D Structure
2D structure of Naringenin-4'-O-glucuronide
CAS: 158196-35-1
CID: 52224404
Formula: C21H20O11
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass448.10056145
Monoisotopic Mass448.10056145
Topological Polar Surface Area183 Ų
Heavy Atom Count32
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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