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Broussochalcone A

CAT: 0931-T72594-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T72594-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99217-68-2
Target
Reactive Oxygen Species, Apoptosis, NR4A, FOXO, ROS, Xanthine Oxidase
Related Pathways
NF-κB, Apoptosis, Endocrinology/Hormones, Immunology/Inflammation, Metabolism
Purity
0.9746
Bioactivity
Broussochalcone A is a natural antioxidant and xanthine oxidase inhibitor (IC50 = 2.21 μM) that scavenges free radicals, inhibits iron-induced lipid peroxidation, and reduces nitric oxide synthesis in LPS-activated macrophages. Broussochalcone A induces apoptosis in human renal carcinoma cells by increasing ROS levels and activating the FOXO3 signaling pathway. Broussochalcone A is also a novel NR4A1 inhibitor that induces apoptosis in pancreatic cancer cells through NR4A1-dependent pathways.
Smiles
C(/C=C/C1=CC(O)=C(O)C=C1)(=O)C2=CC(CC=C(C)C)=C(O)C=C2O
Molecular Formula
C20H20O5
Molecular Weight
340.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Broussochalcone A

broussochalcone a has been reported in Broussonetia papyrifera with data available.

CAS Number99217-68-2
PubChem CID6438825
IUPAC Name(E)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Molecular FormulaC20H20O5
Molecular Weight340.4
XLogP4.7
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity508
SMILES
CC(=CCC1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)C
InChI
InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+
InChIKey
FEALTYYKRMRXTG-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Broussochalcone A
CAS: 99217-68-2
CID: 6438825
Formula: C20H20O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass340.13107373
Monoisotopic Mass340.13107373
Topological Polar Surface Area98 Ų
Heavy Atom Count25
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-142125-01Broussochalcone A

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