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Substance Name: Acacetin
RN: 480-44-4
UNII: KWI7J0A2CC
InChIKey: DANYIYRPLHHOCZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C16-H12-O5

Molecular Weight

  • 284.266
 
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Names and Synonyms

Name of Substance

  • Acacetin

Synonyms

  • 4'-Methoxyapigenin
  • 5,7-Dihydroxy-4'-methoxyflavone
  • 5,7-Dioxy-4'-methoxyflavone
  • 5-18-04-00575 (Beilstein Handbook Reference)
  • Acacetin
  • Acacetine
  • Akatsetin
  • Apigenin 4'-dimethyl ether
  • Apigenin 4'-methyl ether
  • Apisenin 4'-methyl ether
  • BRN 0277879
  • Buddleoflavonol
  • EINECS 207-552-3
  • Flavone, 5,7-dihydroxy-4'-methoxy-
  • Linarigenin
  • NSC 76061
  • UNII-KWI7J0A2CC

Systematic Names

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-
  • 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone
  • 5,7-Dihydroxy-4'-methoxyflavone
  • Flavone, 5,7-dihydroxy-4'-methoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 480-44-4

FDA UNII

  • KWI7J0A2CC

System Generated Number

  • 0000480444

Structure Descriptors

InChI

1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3

InChIKey

DANYIYRPLHHOCZ-UHFFFAOYSA-N

Smiles

c12c(oc(c3ccc(OC)cc3)cc1=O)cc(O)cc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 933mg/kg (933mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 210, 1969.
mouse LD50 unreported 933mg/kg (933mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 210, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 263 deg C   EXP
log P (octanol-water) 3.410 (none)   EST
Atmospheric OH Rate Constant 2.32E-10 cm3/molecule-sec 25 EST

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