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Substance Name: 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-
RN: 4315-88-2
InChIKey: ZMMIEHPFMMRMMN-XVNBXDOJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-O5

Molecular Weight

  • 300.308
 
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Names and Synonyms

Synonyms

  • 1-(2,4-Dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
  • 2',4'-dihydroxy-3,4-dimethoxychalcone
  • Acrylophenone, 2',4'-dihydroxy-3-(3,4-dimethoxyphenyl)-

Systematic Names

  • 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)-
  • Chalcone, 2',4'-dihydroxy-3,4-dimethoxy-

Registry Numbers

CAS Registry Number

  • 4315-88-2

System Generated Number

  • 0004315882

Structure Descriptors

InChI

1S/C17H16O5/c1-21-16-8-4-11(9-17(16)22-2)3-7-14(19)13-6-5-12(18)10-15(13)20/h3-10,18,20H,1-2H3/b7-3+

InChIKey

ZMMIEHPFMMRMMN-XVNBXDOJSA-N

Smiles

C(\C=C\c1cc(c(cc1)OC)OC)(=O)c1c(cc(cc1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 642mg/kg (642mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.