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Isoformononetin

Isoformononetin structure

CAS No:
486-63-5
Formula:
C16H12O4
Chemical Name:
Isoformononetin
Synonyms:
4H-1-Benzopyran-4-one,3-(4-hydroxyphenyl)-7-methoxy-;Isoflavone,4′-hydroxy-7-methoxy-;3-(4-Hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one;4′-Hydroxy-7-methoxyisoflavone;Isoformononetin;Isoformonentin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A methoxyisoflavone that is isoflavone substituted at positions 4' and 7 by hydroxy and methoxy groups respectively.

Solid

Isoformononetin is a methoxyisoflavone that is isoflavone substituted at positions 4' and 7 by hydroxy and methoxy groups respectively. It has a role as a metabolite, a bone density conservation agent and an apoptosis inhibitor. It is a hydroxyisoflavone and a member of 7-methoxyisoflavones. It derives from a daidzein.

Isoformononetin Basic Attributes

Molecular Weight：

268.26400

Exact Mass：

268.26

DSSTox ID：

DTXSID40274405

HScode：

2914509090

Characteristics

PSA：

59.67000

XLogP3：

3.17420

Appearance：

Solid

Density：

1.329±0.06 g/cm3(Predicted)

Melting Point：

218-220 °C @ Solvent: Ethanol

Isoformononetin Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:268.26
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:268.07355886
Monoisotopic Mass:268.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:20
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes