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Substance Name: Picrotin
RN: 21416-53-5
UNII: U06Z6QD7N2
InChIKey: RYEFFICCPKWYML-QCGISDTRSA-N

Note

  • The less toxic component of picrotoxin lacking GABA activity.

Molecular Formula

  • C15-H18-O7

Molecular Weight

  • 310.3002
 
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Names and Synonyms

Name of Substance

  • Picrotin

Synonyms

  • AI3-41570
  • BRN 5302552
  • NSC 129536
  • Picrotin
  • UNII-U06Z6QD7N2

Systematic Names

  • 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-
  • 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1a alpha,2a beta,3beta,6beta,6a beta,8aS*,8b beta,9S*))-
  • Picrotin
  • Picrotin (from Anamirta cocculus seed)
  • Picrotin (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 21416-53-5

FDA UNII

  • U06Z6QD7N2

System Generated Number

  • 0021416535

Structure Descriptors

InChI

InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1

InChIKey

RYEFFICCPKWYML-QCGISDTRSA-N

Smiles

CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.