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Substance Name: Daidzein
RN: 486-66-8
UNII: 6287WC5J2L
InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Estrogens
  • Estrogens, Non-Steroidal
  • Hormones
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Phytoestrogens
  • Protein Tyrosine Kinase (PTK) Inhibitors

Molecular Formula

  • C15-H10-O4

Molecular Weight

  • 254.24
 
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Names and Synonyms

Name of Substance

  • Daidzein

Synonyms

  • 4',7-Dihydroxyisoflavone
  • 5-18-04-00089 (Beilstein Handbook Reference)
  • 7,4'-Dihydroxyisoflavone
  • 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • BRN 0231523
  • CCRIS 7600
  • Daidzein (6CI)
  • Daidzeol
  • EINECS 207-635-4
  • K 251b
  • NPI 031E
  • UNII-6287WC5J2L

Systematic Names

  • 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-
  • 7,4'-Dihydroxyisoflavone
  • 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
  • Daidzein
  • Isoflavone, 4',7-dihydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 486-66-8

FDA UNII

  • 6287WC5J2L

System Generated Number

  • 0000486668

Structure Descriptors

InChI

1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

InChIKey

ZQSIJRDFPHDXIC-UHFFFAOYSA-N

Smiles

Oc1ccc2c(=O)c(c3ccc(O)cc3)coc2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 323 dec deg C   EXP
log P (octanol-water) 2.550 (none)   EST
Atmospheric OH Rate Constant 2.31E-10 cm3/molecule-sec 25 EST

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