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Apigenin 7-O-β-D-glucuronide ethyl ester

CAT: 0804-HY-N9970Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9970Size:1 Each
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Description
Apigenin 7-O-β-D-glucuronide ethyl ester is a flavonoid glucuronate ester that can be isolated from Scutellaria regeliana. Apigenin 7-O-β-D-glucuronide ethyl ester possesses anti-inflammatory activity on the release of β-glucuronidase from rat polymorphonuclear leukocytes (PNMs) induced by platelet activating-factor. Apigenin 7-O-β-D-glucuronide ethyl ester can be used for anti-inflammatory research[1].
CAS Number
62268-42-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
OC1=C2C(OC(C3=CC=C(O)C=C3)=CC2=O)=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(OCC)=O)O)O)O)=C1
Molecular Formula
C23H22O11
Molecular Weight
474.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Han QT, et al. New Flavonoid Glucuronate Esters with Anti-inflammatory Activities from Scutellaria regeliana. Chem Biodivers. 2018 Jul;15 (7) :e1800038.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Apigenin-7-O-glucuronide-6'-ethyl ester
CAS Number62268-42-2
PubChem CID137321127
IUPAC Name(2S,3S,4S,5R)-6-[2-(2-ethyl-4-hydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC23H22O11
Molecular Weight474.4
XLogP1.9
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity800
SMILES
CCC1=C(C=CC(=C1)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C23H22O11/c1-2-9-5-10(24)3-4-12(9)15-8-14(26)17-13(25)6-11(7-16(17)33-15)32-23-20(29)18(27)19(28)21(34-23)22(30)31/h3-8,18-21,23-25,27-29H,2H2,1H3,(H,30,31)/t18-,19-,20+,21-,23?/m0/s1
InChIKey
BKQIIWPJQUZEPQ-XURRJDJLSA-N
Chemical Structure
2D Structure
2D structure of Apigenin-7-O-glucuronide-6'-ethyl ester
CAS: 62268-42-2
CID: 137321127
Formula: C23H22O11
MW: 474.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.4
XLogP31.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass474.11621151
Monoisotopic Mass474.11621151
Topological Polar Surface Area183 Ų
Heavy Atom Count34
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T124530-01Apigenin-7-O-glucuronide-6'-ethyl ester
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MBS5787634Eriodictyol 7-O-beta-D-glucuronide ethyl ester
GTR19279342-01Quercetin 3-O-β-D-glucuronide 6"-ethyl ester
011657Ethyl β-D-Glucuronide Methyl Ester
441662-01Apigenin 7-β-D-Gucopyranoside Triacetate Methyl Ester
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TRC-A726535-50MGApigenin 7-Beta-D-Gucopyranoside Triacetate Methyl Ester
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