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Substance Name: Pinastric acid
RN: 481-64-1
InChIKey: KXQKSBAGVQMQSN-VLGSPTGOSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H16-O6

Molecular Weight

  • 352.34
 
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Names and Synonyms

Name of Substance

  • Pinastric acid

Synonyms

  • 4'-Methoxyvulpinic acid
  • Pinastric acid

Systematic Names

  • alpha-(3-Hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)furanylidene)benzeneacetic acid methyl ester
  • delta(sup 2(5H),alpha)-Furanacetic acid, 3-hydroxy-4-(p-methoxyphenyl)-5-oxo-alpha-phenyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 481-64-1

System Generated Number

  • 0000481641

Structure Descriptors

InChI

1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16-

InChIKey

KXQKSBAGVQMQSN-VLGSPTGOSA-N

Smiles

c1cc(ccc1OC)C1=C(\C(OC1=O)=C(\C(OC)=O)c1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 9, Pg. 54, 1982.