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

CAT: 0804-HY-N1665Size: 1 EachDry Ice: NoHazardous: No
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Description
2',4'-Dihydroxy-3',6'-dimethoxychalcone is a natural product that can be isolated from Polygonum Lapathifolium. 2',4'-Dihydroxy-3',6'-dimethoxychalcone inhibits the growth of CCRF-CEM leukaemia cells and CEM/ADR5000 cells, with IC50 values of 10.67 and 18.60 μM, respectively[1][2].
CAS Number
129724-43-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/2-4-dihydroxy-3-6-dimethoxychalcone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(OC)C=C(O)C(OC)=C1O)/C=C/C2=CC=CC=C2
Molecular Formula
C17H16O5
Molecular Weight
300.31
References & Citations
[1]Ahmed M, et al. Isoflavan-4-ol, dihydrochalcone and chalcone derivatives from Polygonum Lapathifolium. Phytochemistry, 1990, 29 (6) :2009-2011.|[2]Nkuété AH, et al. Anti-leukemia activity of semi-synthetic phenolic derivatives from Polygonum limbatum Meisn. Chem Cent J. 2015 Jun 24;9:40.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

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

1-(2,4-Dihydroxy-3,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one has been reported in Polygonum patulum and Persicaria senegalensis with data available.

CAS Number129724-43-2
PubChem CID7152435
IUPAC Name(E)-1-(2,4-dihydroxy-3,6-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=C(C(=C(C(=C1)O)OC)O)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H16O5/c1-21-14-10-13(19)17(22-2)16(20)15(14)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+
InChIKey
BXMWIRIMYNWIGQ-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dihydroxy-3',6'-dimethoxychalcone
CAS: 129724-43-2
CID: 7152435
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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