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Substance Name: Irigenin
RN: 548-76-5
UNII: 6O4NX37350
InChIKey: TUGWPJJTQNLKCL-UHFFFAOYSA-N

Note

  • A phytoestrogen derived from Belamcanda chinensis with an antiproliferative effect on prostate cancer cells in vitro.

Molecular Formula

  • C18-H16-O8

Molecular Weight

  • 360.3164
 
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Names and Synonyms

Name of Substance

  • Irigenin

Synonyms

  • EINECS 208-958-3
  • UNII-6O4NX37350

Systematic Name

  • 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone

Registry Numbers

CAS Registry Number

  • 548-76-5

FDA UNII

  • 6O4NX37350

System Generated Number

  • 0000548765

Structure Descriptors

InChI

1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3

InChIKey

TUGWPJJTQNLKCL-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)O)c2coc3cc(c(c(c3c2=O)O)OC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185 deg C   EXP
log P (octanol-water) 2.060 (none)   EST
Atmospheric OH Rate Constant 2.33E-10 cm3/molecule-sec 25 EST

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