Coumestrol (Standard)

CAT: 0804-HY-N2335R-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N2335R-01Size:1 mg

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Description

Coumestrol (Standard) is the analytical standard of Coumestrol. This product is intended for research and analytical applications. 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.

CAS Number

479-13-0

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Estrogen Receptor/ERR; Reference Standards

Type

Reference Standards

Related Pathways

Others; Vitamin D Related/Nuclear Receptor

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/coumestrol-standard.html

Purity

96.58

Smiles

O=C1C2=C(OC3=CC(O)=CC=C32)C4=CC=C(O)C=C4O1

Molecular Formula

C15H8O5

Molecular Weight

268.22

Precautions

H302, H315, H319, H335

References & Citations

[1]Lim W, et al. Coumestrol suppresses proliferation of ES2 human epithelial ovarian cancer cells. J Endocrinol. 2016 Mar;228 (3) :149-60.|[2]Zafar A, et al. Cytotoxic activity of soy phytoestrogen coumestrol against human breast cancer MCF-7 cells: Insights into the molecular mechanism. Food Chem Toxicol. 2017 Jan;99:149-161.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, sealed storage, away from light and moisture

Scientific Category

Reference Standards

Chemical Information

Coumestrol

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 antioxidant, an anti-inflammatory agent and a plant metabolite. It is a delta-lactone, a polyphenol and a member of coumestans. It is functionally related to a coumestan.

CAS Number	479-13-0
PubChem CID	5281707
IUPAC Name	3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular Formula	C15H8O5
Molecular Weight	268.22
XLogP	2.8
Topological Polar Surface Area	79.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	411

SMILES

C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H

InChIKey

ZZIALNLLNHEQPJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 479-13-0

CID: 5281707

Formula: C15H8O5

MW: 268.22

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	268.22
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	268.03717335
Monoisotopic Mass	268.03717335
Topological Polar Surface Area	79.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Coumestrol (Standard)

Chemical Information

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