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Substance Name: Flavaspidic acid
RN: 114-42-1
UNII: 7HFR949XW9
InChIKey: HNAIAJNEQWTLNE-UHFFFAOYSA-N

Note

  • Isolated from rhizomes of male fern.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-O8

Molecular Weight

  • 446.493
 
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Names and Synonyms

Name of Substance

  • Flavaspidic acid

Synonyms

  • 4-08-00-03748 (Beilstein Handbook Reference)
  • BRN 2068481
  • Flavaspidic acid
  • Flavaspidic acid BB
  • Flavaspidsaeure
  • Flavaspidsaeure [German]
  • Glavaspidic acid
  • NSC 115497
  • Polystichocitrin
  • Toxifren
  • UNII-7HFR949XW9

Systematic Names

  • 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)- (9CI)
  • 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-5'-methylphloro butyrophenone
  • Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-

Registry Numbers

CAS Registry Number

  • 114-42-1

FDA UNII

  • 7HFR949XW9

System Generated Number

  • 0000114421

Structure Descriptors

InChI

1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-29,31-32H,6-10H2,1-5H3

InChIKey

HNAIAJNEQWTLNE-UHFFFAOYSA-N

Smiles

C=1(Cc2c(c(c(O)c(c2O)C)C(CCC)=O)O)C(C(=C(O)C(C1O)(C)C)C(CCC)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 40mg/kg (40mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 47, Pg. 1, 1902.
mouse LD50 intravenous 94mg/kg (94mg/kg)   Journal of Pharmaceutical Sciences. Vol. 54, Pg. 1362, 1965.
mouse LD50 oral 690mg/kg (690mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 25, Pg. 33, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156 deg C   EXP
log P (octanol-water) 4.610 (none)   EST
Atmospheric OH Rate Constant 2.85E-10 cm3/molecule-sec 25 EST

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