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Substance Name: 2',4,4'-Trihydroxychalcone
RN: 13745-20-5
InChIKey: DXDRHHKMWQZJHT-FPYGCLRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-O4

Molecular Weight

  • 256.256
 
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Names and Synonyms

Results Name

  • 2',4,4'-Trihydroxychalcone

Synonyms

  • 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
  • 1-08-00-00707 (Beilstein Handbook Reference)
  • 2',4,4'-Trihydroxychalcone
  • 4,2',4'-Trihydroxychalcone
  • Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-
  • BRN 1914295
  • EINECS 237-316-5

Systematic Names

  • 2',4,4'-Trihydroxychalcone
  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 13745-20-5

System Generated Number

  • 0013745205

Structure Descriptors

InChI

1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

InChIKey

DXDRHHKMWQZJHT-FPYGCLRLSA-N

Smiles

c1(C(\C=C\c2ccc(O)cc2)=O)c(cc(O)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 626mg/kg (626mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.