sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4H-1-Benzopyran-4-one, 7-ethoxy-3-(4-hydroxyphenyl)-

4H-1-Benzopyran-4-one, 7-ethoxy-3-(4-hydroxyphenyl)-

CAS No.:
146698-96-6
Catalog Number:
AG001E84
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001E84
Chemical Name:
4H-1-Benzopyran-4-one, 7-ethoxy-3-(4-hydroxyphenyl)-
CAS Number:
146698-96-6
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
MDL Number:
MFCD03425562
IUPAC Name:
7-ethoxy-3-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C17H14O4/c1-2-20-13-7-8-14-16(9-13)21-10-15(17(14)19)11-3-5-12(18)6-4-11/h3-10,18H,2H2,1H3
InChI Key:
YMGLMEIZDQKJBW-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Effects of 7-O substitutions on estrogenic and anti-estrogenic activities of daidzein analogues in MCF-7 breast cancer cells. Journal of medicinal chemistry 20100826
Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase. Journal of medicinal chemistry 20080814
Synthesis of potential antidipsotropic isoflavones: inhibitors of the mitochondrial monoamine oxidase-aldehyde dehydrogenase pathway. Journal of medicinal chemistry 20010927
Properties