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Prunetrin

CAT: 1410-M38903-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M38903-05Size:50 mg
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Description
Prunetrin (Trifoside) is a soflavonoid found in above-ground and below-ground organs of red clover.
CAS Number
154-36-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
446.4
Molecular Formula
C22H22O10
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

prunetin 4'-O-glucoside

Prunetin 4'-O-glucoside is a glycosyloxyisoflavone that is the 4'-O-beta-D-glucoside of prunetin. It is a member of 7-methoxyisoflavones, a hydroxyisoflavone and a glycosyloxyisoflavone. It is functionally related to a prunetin.

CAS Number154-36-9
PubChem CID16398538
IUPAC Name5-hydroxy-7-methoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular FormulaC22H22O10
Molecular Weight446.4
XLogP1.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity690
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey
OFUWGCQDMVDLIR-RECXWPGBSA-N
Chemical Structure
2D Structure
2D structure of prunetin 4'-O-glucoside
CAS: 154-36-9
CID: 16398538
Formula: C22H22O10
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass446.12129689
Monoisotopic Mass446.12129689
Topological Polar Surface Area155 Ų
Heavy Atom Count32
Formal Charge0
Complexity690
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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CatalogName
M18796-01Prunetin
M39316-01PRUNETIN-4-GLUCOSIDE

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