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Vicenin 2 (Standard)

CAT: 0804-HY-N2165RSize: 1 EachDry Ice: NoHazardous: No
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Description
Vicenin 2 (Standard) is the analytical standard of Vicenin 2. This product is intended for research and analytical applications. Vicenin 2 is an angiotensin-converting enzyme (ACE) inhibitor (IC50=43.83 μM) from the aerial parts of Desmodium styracifolium[1].
CAS Number
23666-13-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Angiotensin-converting Enzyme (ACE) ; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/vicenin-2-standard.html
Smiles
OC1=C([C@@H]([C@@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)C(O)=C3C(OC(C4=CC=C(O)C=C4)=CC3=O)=C1[C@@H]([C@@H]([C@@H](O)[C@@H]5O)O)O[C@@H]5CO
Molecular Formula
C27H30O15
Molecular Weight
594.52
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Vicenin-2

Isovitexin 8-C-beta-glucoside is a C-glycosyl compound that is isovitexin in which the hydrogen at position 8 is replaced by a beta-D-glucosyl residue. It has a role as a metabolite. It is a C-glycosyl compound and a trihydroxyflavone. It is functionally related to an isovitexin.

CAS Number23666-13-9
PubChem CID442664
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-2.3
Topological Polar Surface Area267
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity987
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChIKey
FIAAVMJLAGNUKW-VQVVXJKKSA-N
Chemical Structure
2D Structure
2D structure of Vicenin-2
CAS: 23666-13-9
CID: 442664
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-2.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area267 Ų
Heavy Atom Count42
Formal Charge0
Complexity987
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T13299-01Vicenin 3
AB2046Vicenin-I
AB1246Vicenin-II
M31180-01Vicenin -1
FV74184-01Vicenin-2
FV145283-01Vicenin III
RM-V031402-01Vicenin 2
MBS5758087Vicenin -2
AB2047Vicenin-III

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