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Substance Name: Equol
RN: 531-95-3
UNII: 2T6D2HPX7Q
InChIKey: ADFCQWZHKCXPAJ-GFCCVEGCSA-N

Note

  • A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines.

Molecular Formula

  • C15-H14-O3

Molecular Weight

  • 242.273
 

Classification Codes

  • Estrogens
  • Estrogens, Non-Steroidal
  • Hormones
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Phytoestrogens
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Names and Synonyms

Name of Substance

  • Equol

MeSH Heading

  • Equol

Synonyms

  • (-)-(S)-Equol
  • (-)-Equol
  • (3S)-Equol
  • (S)-(-)-4',7-Isoflavandiol
  • (S)-Equol
  • 4',7-Dihydroxyisoflavan
  • 7,4'-Isoflavandiol
  • AUS 131
  • CCRIS 9222
  • EINECS 208-522-2
  • Equol
  • S-Equol
  • SE 5OH
  • UNII-2T6D2HPX7Q

Systematic Names

  • (S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
  • 3,4-Dihydro-3-(4-hydroxyphenyl)-(S)-2H-1-benzopyran-7-ol

Registry Numbers

CAS Registry Number

  • 531-95-3

FDA UNII

  • 2T6D2HPX7Q

Other Registry Number

  • 20879-01-0

System Generated Number

  • 0000531953

Structure Descriptors

InChI

1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1

InChIKey

ADFCQWZHKCXPAJ-GFCCVEGCSA-N

Smiles

C1[C@H](c2ccc(cc2)O)Cc2ccc(cc2O1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 189.5 deg C   EXP
log P (octanol-water) 3.670 (none)   EST
Atmospheric OH Rate Constant 2.17E-10 cm3/molecule-sec 25 EST

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