Structure Database (LMSD)

Common Name
Apigenin
Systematic Name
Synonyms
LM ID
LMPK12110005
Formula
Exact Mass
Calculate m/z
270.052825
Status
Curated




Classification

Biological Context

Apigenin is a flavonoid compound found in many fruits and vegetables that selectively inhibits casein kinase 2 (CK2). Apigenin inhibits CK2 activity in the renal cortex with an IC50 value of 30 µM to improve renal function in a rat model of glomerulonephritis.1 CK2 inhibition by 20 µM apigenin decreases the degradation of IκBα and down-regulates NF-κB levels in WEHI-231 cells.2 Apigenin at 5 µM is a potent inhibitor of the synthesis of the inflammatory mediators nitric oxide and prostaglandin E2, reducing inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) expression by 56% and 64%, respectively, in the macrophage cell line J774A.1.3

This information has been provided by Cayman Chemical

References

String Representations

InChiKey (Click to copy)
KZNIFHPLKGYRTM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C=C3)=CC(=O)C2=C(O)C=1

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

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Updated at
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