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Substance Name: Yangonin
RN: 500-62-9
UNII: R970U49V3C
InChIKey: XLHIYUYCSMZCCC-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-O4

Molecular Weight

  • 258.272
 
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Names and Synonyms

Name of Substance

  • Yangonin

Synonyms

  • 4-Methoxy-6-(beta-(p-anisyl)vinyl)-alpha-pyrone
  • 4-Methoxy-6-(p-methoxystyryl)-2H-pyran-2-one
  • 5-Hydroxy-3-methoxy-7-(p-methoxyphenyl)-2,4,6-heptatrienoic acid gamma-lactone
  • CCRIS 9372
  • NSC 212502
  • UNII-R970U49V3C
  • Yangonin

Systematic Names

  • 2H-Pyran-2-one, 4-methoxy-6-(2-(4-methoxyphenyl)ethenyl)-, (E)- (9CI)
  • 2H-Pyran-2-one, 4-methoxy-6-(p-methoxystyryl)-

Registry Numbers

CAS Registry Number

  • 500-62-9

FDA UNII

  • R970U49V3C

System Generated Number

  • 0000500629

Structure Descriptors

InChI

1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+

InChIKey

XLHIYUYCSMZCCC-VMPITWQZSA-N

Smiles

c1(cc(cc(o1)=O)OC)\C=C\c1ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 intravenous 41mg/kg (41mg/kg) BEHAVIORAL: ANTICONVULSANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Atmospheric OH Rate Constant 2.17E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.