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2',3'-Dihydroxy-4',6'-dimethoxychalcone

CAT: 0804-HY-N12321Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12321Size:1 Each
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Description
2',3'-Dihydroxy-4',6'-dimethoxychalcone (compound 1) can inhibit Amyloid β-protein (Aβ42) fibrillization and aggregation. 2',3'-Dihydroxy-4',6'-dimethoxychalcone has oral activity and can be detected in the brain[1].
CAS Number
54299-64-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/2-3-dihydroxy-4-6-dimethoxychalcone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(OC)C=C(OC)C(O)=C1O)/C=C/C2=CC=CC=C2
Molecular Formula
C17H16O5
Molecular Weight
300.31
References & Citations
[1]Jacob P Beard, et al. Synthesis and Conformational Analysis of FR901464-Based RNA Splicing Modulators and Their Synergism in Drug-Resistant Cancers. J Med Chem. 2023.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2',3'-Dihydroxy-4',6'-dimethoxychalcone

2',3'-Dihydroxy-4',6'-dimethoxychalcone has been reported in Piper hispidum and Uvaria dulcis with data available.

CAS Number54299-64-8
PubChem CID14159747
IUPAC Name(E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP3.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)O)OC
InChI
InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
InChIKey
IAYOHSHBLLHXFB-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of 2',3'-Dihydroxy-4',6'-dimethoxychalcone
CAS: 54299-64-8
CID: 14159747
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
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

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