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Substance Name: Hyperforin
RN: 11079-53-1
UNII: RM741E34FP
InChIKey: IWBJJCOKGLUQIZ-HQKKAZOISA-N

Note

  • A prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian.

Molecular Formula

  • C35-H52-O4

Molecular Weight

  • 536.7918
 
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Names and Synonyms

Name of Substance

  • Hyperforin

Synonyms

  • HSDB 7646
  • UNII-RM741E34FP

Systematic Names

  • 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl) bicyclo(3.3.1)non-3-ene-2,9-dione
  • Bicyclo(3.3.1)(1,4)benzodiazepin-5-one, 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-, (1R,5S,6R,7S)-

Registry Numbers

CAS Registry Number

  • 11079-53-1

FDA UNII

  • RM741E34FP

System Generated Number

  • 0011079531

Structure Descriptors

InChI

1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1

InChIKey

IWBJJCOKGLUQIZ-HQKKAZOISA-N

Smiles

C1(=C(C(=O)[C@]2(C[C@@H]([C@]([C@@]1(C2=O)C(=O)C(C)C)(CC/C=C(/C)C)C)C/C=C(/C)C)C/C=C(/C)C)C/C=C(/C)C)O