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Substance Name: Octa-1,6-dien-3-one, 7-methyl-1-(3,4-methylenedioxyphenyl)-
RN: 56751-03-2
InChIKey: GWNVGUGEDNXVMR-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O3

Molecular Weight

  • 258.315
 
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Names and Synonyms

Synonyms

  • 1,6-Octadien-3-one, 1-(1,3-benzodioxol-5-yl)-7-methyl-
  • 7-Methyl-1-(3,4-methylenedioxyphenyl)octa-1,6-dien-3-one

Systematic Name

  • Octa-1,6-dien-3-one, 7-methyl-1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 56751-03-2

System Generated Number

  • 0056751032

Structure Descriptors

InChI

1S/C16H18O3/c1-12(2)4-3-5-14(17)8-6-13-7-9-15-16(10-13)19-11-18-15/h4,6-10H,3,5,11H2,1-2H3/b8-6+

InChIKey

GWNVGUGEDNXVMR-SOFGYWHQSA-N

Smiles

c12c(ccc(c1)\C=C\C(CC\C=C(\C)C)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.