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Warangalone

CAS No.:
4449-55-2
Catalog Number:
AG00DH0T
Molecular Formula:
C25H24O5
Molecular Weight:
404.4551
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$614
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Product Description
Catalog Number:
AG00DH0T
Chemical Name:
Warangalone
CAS Number:
4449-55-2
Molecular Formula:
C25H24O5
Molecular Weight:
404.4551
MDL Number:
MFCD00220453
IUPAC Name:
5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
InChI:
InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3
InChI Key:
HGHOPAZIUPORIN-UHFFFAOYSA-N
SMILES:
CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1occ(c2=O)c1ccc(cc1)O)O)C
Properties
Complexity:
752  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.162g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
404.462g/mol
Monoisotopic Mass:
404.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Literature
Title Journal
Vapor-phase toxicity of Derris scandens Benth.-derived constituents against four stored-product pests. Journal of agricultural and food chemistry 20110309
A new benzil derivative from Derris scandens: Structure-insecticidal activity study. Bioorganic & medicinal chemistry letters 20100115
Cameroonian medicinal plants: pharmacology and derived natural products. Frontiers in pharmacology 20100101
Inhibition of protein tyrosine phosphatase 1B by prenylated isoflavonoids isolated from the stem bark of Erythrina addisoniae. Planta medica 20060801
Induction of apoptosis by isoflavonoids from the leaves of Millettia taiwaniana in human leukemia HL-60 cells. Planta medica 20060401
Warangalone, the isoflavonoid anti-inflammatory principle of Erythrina addisoniae stem bark. Journal of natural products 20030601
Properties