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Isovitexin 1mg

CAT: 0628-A12079-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12079-1Size:1 mg
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CAS Number
29702-25-8

Chemical Information

Isovitexin

Isovitexin is a C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. It has a role as a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an apigenin. It is a conjugate acid of an isovitexin-7-olate.

CAS Number29702-25-8
PubChem CID162350
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC21H20O10
Molecular Weight432.4
XLogP0.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity690
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
InChIKey
MYXNWGACZJSMBT-VJXVFPJBSA-N
Chemical Structure
2D Structure
2D structure of Isovitexin
CAS: 29702-25-8
CID: 162350
Formula: C21H20O10
MW: 432.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass432.10564683
Monoisotopic Mass432.10564683
Topological Polar Surface Area177 Ų
Heavy Atom Count31
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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