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Substance Name: 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
RN: 108070-82-2
InChIKey: XWIQPTILBXKAEI-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-O6

Molecular Weight

  • 328.3184
 
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Names and Synonyms

Synonyms

  • 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-acetyl-2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-
  • BRN 5598841

Systematic Name

  • 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 108070-82-2

System Generated Number

  • 0108070822

Structure Descriptors

InChI

1S/C18H16O6/c1-10(19)12-8-13(16(22)9-15(12)21)14(20)5-3-11-4-6-18(24-2)17(23)7-11/h3-9,21-23H,1-2H3/b5-3+

InChIKey

XWIQPTILBXKAEI-HWKANZROSA-N

Smiles

CC(=O)c1cc(c(cc1O)O)C(=O)/C=C/c2ccc(c(c2)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.