Details of the Drug

General Information of Drug (ID: DMNC4ZQ)

Drug Name

Picrotoxinin

Synonyms

picrotoxinin; (-)-Picrotoxinin; Picrotoxinine; UNII-9K011NUF0R; 17617-45-7; CHEMBL47244; 9K011NUF0R; CHEBI:8206; NSC 129537; (5S,8S,12S,1R,3R,9R,13R,14R)-1-hydroxy-13-methyl-14-(1-methylvinyl)-4,7,10-tri oxapentacyclo[6.4.1.1< (1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-Hydroxy-8b-Methyl-9-(Prop-1-En-2-Yl)hexahydro-3,6-Methano-1,5,7-Trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3h)-Dione; AI3-41571; RI5; Picrotoxinin (from Anamirta cocculus seed); Picrotoxin (Part b)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C15H16O6
Canonical SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C
InChI: 1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1
InChIKey: PIMZUZSSNYHVCU-YKWPQBAZSA-N

Cross-matching ID

PubChem CID: 442292
ChEBI ID: CHEBI:8206
CAS Number: 17617-45-7
TTD ID: D0Y1GW

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2291).