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Swertisin

CAT: 0926-FS74200-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FS74200-02Size:2 mg
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CAS Number
6991-10-2
Synonyms
Apigenin 6-glucosyl-7-O-methyl ether
MDL Number
MFCD00210560
Smiles
COC1=C (C (=C2C (=C1) OC (=CC2=O) C3=CC=C (C=C3) O) O) C4C (C (C (C (O4) CO) O) O) O
Molecular Formula
C22H22O10
Molecular Weight
446.4 g/mol
Controlled
No

Chemical Information

Swertisin

Swertisin is a flavone C-glycoside that is 7-O-methylapigenin in which the hydrogen at position 6 has been replaced by a beta-D-glucosyl residue. It has a role as an antioxidant, a hypoglycemic agent, an adenosine A1 receptor antagonist, an anti-inflammatory agent and a plant metabolite. It is a monomethoxyflavone, a polyphenol, a dihydroxyflavone, a monosaccharide derivative and a flavone C-glycoside. It is functionally related to an apigenin.

CAS Number6991-10-2
PubChem CID124034
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC22H22O10
Molecular Weight446.4
XLogP0.5
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity705
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1
InChIKey
ABRULANJVVJLFI-DGHBBABESA-N
Chemical Structure
2D Structure
2D structure of Swertisin
CAS: 6991-10-2
CID: 124034
Formula: C22H22O10
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass446.12129689
Monoisotopic Mass446.12129689
Topological Polar Surface Area166 Ų
Heavy Atom Count32
Formal Charge0
Complexity705
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
TN2247-01Swertisin
HY-N2189RSwertisin (Standard)
372000Swertisin discontinued

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