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Irilone

Irilone structure

CAS No:
41653-81-0
Formula:
C16H10O6
Chemical Name:
Irilone
Synonyms:
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,9-hydroxy-7-(4-hydroxyphenyl)-;9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;Irilone;Irilone (isoflavone)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Irilone is a hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'. It has a role as an immunomodulator, an antineoplastic agent and a metabolite. It is a hydroxyisoflavone, an oxacycle and an organic heterotricyclic compound.

Irilone Basic Attributes

Molecular Weight：

298.24700

Exact Mass：

298.25

DSSTox ID：

DTXSID60415191

HScode：

2932999099

Characteristics

PSA：

89.13000

XLogP3：

2.59990

Density：

1.592g/cm3

Melting Point：

236-237 °C

Boiling Point：

558.7ºC

Flash Point：

215.9ºC

Refractive Index：

1.721

Drug Information

MeSH Entry Terms：

irilone

Irilone Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:298.25
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:298.04773803
Monoisotopic Mass:298.04773803
Topological Polar Surface Area:85.2
Heavy Atom Count:22
Complexity:481
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes