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Substance Name: Coumestrol
RN: 479-13-0
UNII: V7NW98OB34
InChIKey: ZZIALNLLNHEQPJ-UHFFFAOYSA-N

Note

  • A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.

Molecular Formula

  • C15-H8-O5

Molecular Weight

  • 268.2232
 

Classification Codes

  • Estrogens
  • Estrogens, Non-Steroidal
  • Hormones
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Mutation Data
  • Phytoestrogens
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Coumestrol

MeSH Heading

  • Coumestrol

Synonyms

  • 3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
  • 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI)
  • 5-19-06-00405 (Beilstein Handbook Reference)
  • BRN 0266702
  • CCRIS 7311
  • Coumestrol
  • Cumoesterol
  • Cumoestrol
  • Cumostrol
  • EINECS 207-525-6
  • NSC 22842
  • UNII-V7NW98OB34

Systematic Names

  • 3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
  • 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-
  • Coumestrol

Registry Numbers

CAS Registry Number

  • 479-13-0

FDA UNII

  • V7NW98OB34

System Generated Number

  • 0000479130

Structure Descriptors

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

Smiles

c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 385 dec deg C   EXP
log P (octanol-water) 1.570 (none)   EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.