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Afzelin

CAT: 0607-BA1239-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1239-10Size:10 mg
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CAS Number
482-39-3
Form
A solid
Molecular Formula
C21H20O10
Molecular Weight
432.38
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Afzelin

Afzelin is a glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage. It has a role as an antibacterial agent, an anti-inflammatory agent and a plant metabolite. It is a trihydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a kaempferol. It is a conjugate acid of an afzelin(1-).

CAS Number482-39-3
PubChem CID5316673
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O10
Molecular Weight432.4
XLogP1.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity702
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
InChIKey
SOSLMHZOJATCCP-AEIZVZFYSA-N
Chemical Structure
2D Structure
2D structure of Afzelin
CAS: 482-39-3
CID: 5316673
Formula: C21H20O10
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP31.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass432.10564683
Monoisotopic Mass432.10564683
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity702
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

Alternative Products

CatalogName
TA0204550Afzelin
371146Afzelin discontinued
A13891-50Afzelin 50mg
A13891-5Afzelin 5mg
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A13891-25Afzelin 25mg
A13891-100Afzelin 100mg
A13891-10Afzelin 10mg
A13891-1Afzelin 1mg
TN27122'',4''-Di-O- (Z-p-coumaroyl) afzelin

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