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104778-14-5
Catalog No.:AA01EQ24

104778-14-5 | (3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one

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  • Technical Information
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Technical Information
Catalog Number:
AA01EQ24
Chemical Name:
(3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
CAS Number:
104778-14-5
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
SMILES:
Oc1ccc2c(c1)OC/C(=C\c1ccc(c(c1)O)O)/C2=O
Properties
Computed Properties
 
Complexity:
432  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Literature

Title: Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.

Journal: Journal of medicinal chemistry 20080814

Title: Synthesis and antioxidant properties of substituted 3-benzylidene-7-alkoxychroman-4-ones.

Journal: Bioorganic & medicinal chemistry letters 20071215

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Tags:104778-14-5 Molecular Formula|104778-14-5 MDL|104778-14-5 SMILES|104778-14-5 (3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one