picrotoxinin   

GtoPdb Ligand ID: 2291

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 85.36
Molecular weight 292.09
XLogP -0.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=C)C1C2OC(=O)C1C1(C3(C2OC(=O)C23C(C1)O2)C)O
Isomeric SMILES CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O
InChI 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
InChI Key PIMZUZSSNYHVCU-YKWPQBAZSA-N

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Similar Ligands
picrotin
Targets
glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 subunit; glycine receptor β subunit
1,9-dideoxyforskolin
Targets
VRAC
picrotoxin
Targets
5-HT3A; 5-HT3AB; GABAA receptor α3 subunit; GABAA receptor α5 subunit; GABAA receptor α6 subunit; GABAA receptor β1 subunit; GABAA receptor β3 subunit; GABAA receptor δ subunit; GABAA receptor γ2 subunit; GABAA receptor ρ1 subunit; GABAA receptor ρ2 subunit; GABAA receptor ρ3 subunit; glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor β subunit... click on ligand to see complete list
compound 6g [PMID: 7966163]
Targets
squalene synthase
compound 16a [Sharratt et al., 1994]
Targets
squalene synthase
compound 3f [PMID: 7966163]
Targets
squalene synthase
L-735021
Targets
squalene synthase
compound 5d [PMID: 7966163]
Targets
squalene synthase
compound 5d [PMID: 7966163]
Targets
squalene synthase
compound 6c [PMID: 7966163]
Targets
squalene synthase
compound 6d [PMID: 7966163]
Targets
squalene synthase
compound 4e [PMID: 7966163]
Targets
squalene synthase
zaragozic acid C
Targets
squalene synthase
zaragozic acid A
Targets
squalene synthase
bilobalide
Targets
5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor β subunit
ginkgolide A
Targets
Glycine Receptor (All subtypes); PAF receptor
ginkgolide B
Targets
5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); PAF receptor; glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 subunit; glycine receptor β subunit
ginkgolide C
Targets
Glycine Receptor (All subtypes); PAF receptor
ginkgolide J
Targets
Glycine Receptor (All subtypes); PAF receptor
carboxyatractyloside
Targets
Mitochondrial adenine nucleotide translocator 1
forskolin
7α-Cl-ginkgolide B
Targets
PAF receptor
7α-F-ginkgolide B
Targets
PAF receptor
7α-OAc-ginkgolide B
Targets
PAF receptor
zaragozic acid B
Targets
squalene synthase
7-epi-ginkgolide C
Targets
PAF receptor
10-OBn-7α-F-gingkolide B
Targets
PAF receptor
10-OBn-ginkgolide B
Targets
PAF receptor
10-OBn-ginkgolide C
Targets
PAF receptor
10-OBn-epi-ginkgolide C
Targets
PAF receptor
7α-N3-ginkgolide B
Targets
PAF receptor
7α-NH2-ginkgolide B
Targets
PAF receptor
7α-NHEt-ginkgolide B
Targets
PAF receptor
7α-NHMe-ginkgolide B
Targets
PAF receptor
7α-OCOCH2Ph-ginkgolide B
Targets
PAF receptor
tirotundin
Targets
Peroxisome proliferator-activated receptor-γ
tagitinin A
Targets
Peroxisome proliferator-activated receptor-γ
compound 45 [PMID: 8709105]
Targets
adenylyl cyclase 1
artemisinin
Targets
null
FD1
Targets
adenylyl cyclase 2
FD6
Targets
adenylyl cyclase 5