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Substance Name: Filicin
RN: 4482-83-1
UNII: 3OQ8CMM2OZ
InChIKey: CBJLTLWLKQTVHD-UHFFFAOYSA-N

Note

  • Active principle of the male fern (Dryopteris filixmas (L.) Schott.).

Molecular Formula

  • C36-H44-O12

Molecular Weight

  • 668.732
 
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Names and Synonyms

Name of Substance

  • Filicin

Synonyms

  • Butyrophenone, 3',5'-bis((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-
  • EINECS 224-766-2
  • Filixic acid
  • Filixic acid BBB
  • Filixsaeure
  • Filixsaeure [German]
  • UNII-3OQ8CMM2OZ

Systematic Names

  • 2,2'-((2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one
  • 2,5-Cyclohexadien-1-one, 2,2'-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • Filicin
  • Phlorobutyrophenone, 3',5'-bis(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 4482-83-1

FDA UNII

  • 3OQ8CMM2OZ

Other Registry Numbers

  • 11041-32-0
  • 1391-56-6

System Generated Number

  • 0004482831

Structure Descriptors

InChI

1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3

InChIKey

CBJLTLWLKQTVHD-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1O)C(CCC)=O)O)CC=1C(C(=C(C(C1O)(C)C)O)C(CCC)=O)=O)O)CC=1C(C(=C(C(C1O)(C)C)O)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.