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Xanthyletin

Xanthyletin structure

CAS No:
553-19-5
Formula:
C14H12O3
Chemical Name:
Xanthyletin
Synonyms:
2H,8H-Benzo[1,2-b:5,4-b′]dipyran-2-one,8,8-dimethyl-;Xanthyletin;2H-1-Benzopyran-6-acrylic acid,7-hydroxy-2,2-dimethyl-,δ-lactone;8,8-Dimethyl-2H,8H-benzo[1,2-b:5,4-b′]dipyran-2-one;7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-acrylic acid δ-lactone;2,2-Dimethylchromenocoumarin;2,2-Dimethylpyrano[3,2-g]chromen-8-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Xanthyletin is a coumarin isolated from Citrus, with anti-tumor and anti-bacterial activities. Xanthyletin also inhibits symbiotic fungus cultivated by leaf-cutting ants[1].

Xanthyletin is a member of coumarins.

Xanthyletin Basic Attributes

Molecular Weight：

228.24

Exact Mass：

228.24

UNII：

3N789LD38N

DSSTox ID：

DTXSID60203818

HScode：

2932999099

Characteristics

PSA：

39.44000

XLogP3：

2.97720

Density：

1.222g/cm3

Melting Point：

130-131 °C

Boiling Point：

140-145 °C @ Press: 0.1 Torr

Flash Point：

161.9ºC

Refractive Index：

1.583

Collision Cross Section：

148.3 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH Entry Terms：

xanthyletin

Computed Properties

Molecular Weight:228.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Exact Mass:228.078644241
Monoisotopic Mass:228.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:17
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes