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Coumestrol

Coumestrol structure

CAS No:
479-13-0
Formula:
C15H8O5
Chemical Name:
Coumestrol
Synonyms:
6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-;3-Benzofurancarboxylic acid,2-(2,4-dihydroxyphenyl)-6-hydroxy-,δ-lactone;3,9-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one;Coumestrol;2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid δ-lactone;Cumostrol;Cumoestrol;Coumesterol;NSC 22842;3,9-Dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Categories:
Natural Products > Coumarin and Derivatives

Description

Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

Solid

Coumestrol is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a member of coumestans, a delta-lactone and a polyphenol. It derives from a coumestan.|A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.

Coumestrol Basic Attributes

Molecular Weight：

268.22

Exact Mass：

268.22

EC Number：

207-525-6

UNII：

V7NW98OB34

NSC Number：

22842

DSSTox ID：

DTXSID6022399

Characteristics

PSA：

79.9

XLogP3：

2.94

Appearance：

Solid

Density：

1.6±0.1 g/cm3

Melting Point：

385 °C (decomp)

Boiling Point：

406.0±24.0 °C at 760 mmHg

Flash Point：

199.3±22.9 °C

Refractive Index：

1.768

Water Solubility：

DMSO: soluble

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

RTECS Number：

DF8077000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

Drug Information

MeSH：

Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS. (See all compounds classified as Phytoestrogens.)

MeSH Entry Terms：

Coumestrol

Coumestrol Use and Manufacturing

Uses

This compound has estrogenic activity.It exhibits bright blue fluorescence in neutral or acid solution, and greenish-yellow fluorescence in strong alkali solution

Manufacturing Info：

6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-: INACTIVE

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Coumestan flavonoids [PK1209]

Computed Properties

Molecular Weight:268.22
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:268.03717335
Monoisotopic Mass:268.03717335
Topological Polar Surface Area:79.9
Heavy Atom Count:20
Complexity:411
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Coumestrol

Nanjing Paron Technology Co., Ltd Contact Supplier

CN
6 YRS

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Manufactory Supplier of chemicals

COUMESTROL high quality

CAS No.: 479-13-0

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Wuhan Pnq Int Trade Co., Ltd Contact Supplier

CN
3 YRS

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Kaempferitrin

Unit Price: $10 /G EXW

CAS No.: 479-13-0

Grade: Chemical Grade

Content: 99%

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Guide of Coumestrol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Coumestrol

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