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Home Other Building Blocks 4,4'-DIHYDROXY-2-METHOXYCHALCONE

4,4'-DIHYDROXY-2-METHOXYCHALCONE

CAS No.:
34221-41-5
Catalog Number:
AG00BZA4
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
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Product Description
Catalog Number:
AG00BZA4
Chemical Name:
4,4'-DIHYDROXY-2-METHOXYCHALCONE
CAS Number:
34221-41-5
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00075719
IUPAC Name:
(E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+
InChI Key:
QJKMIJNRNRLQSS-WEVVVXLNSA-N
SMILES:
COc1cc(O)ccc1/C=C/C(=O)c1ccc(cc1)O
UNII:
3816S4UA9R
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Chalcones as novel influenza A (H1N1) neuraminidase inhibitors from Glycyrrhiza inflata. Bioorganic & medicinal chemistry letters 20110101
Phenolics from Glycyrrhiza glabra roots and their PPAR-gamma ligand-binding activity. Bioorganic & medicinal chemistry 20100115
Inhibitory effect of chalcones and their derivatives from Glycyrrhiza inflata on protein tyrosine phosphatase 1B. Bioorganic & medicinal chemistry letters 20090901
Cytotoxic activity of low molecular weight polyphenols against human oral tumor cell lines. Anticancer research 20000101
Properties