ginkgolide J   

GtoPdb Ligand ID: 1864

Comment: There is some ambiguity online as to the exact structure and stereochemistry of ginkgolide J. Our structure matches that represented in the PubChem entry linked to above, but PubChem also lists activity data for several other entries. ChEMBL represents the compound with the entry CHEMBL374004.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 148.82
Molecular weight 424.14
XLogP -0.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1OC2C(C1C)(O)C13C4(C2)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O
Isomeric SMILES O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O
InChI InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10?,11-,15+,17?,18?,19-,20-/m1/s1
InChI Key LMEHVEUFNRJAAV-MHIVRBJNSA-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
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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]
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squalene synthase
compound 16a [Sharratt et al., 1994]
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squalene synthase
compound 3f [PMID: 7966163]
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squalene synthase
L-735021
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squalene synthase
compound 5d [PMID: 7966163]
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squalene synthase
compound 5d [PMID: 7966163]
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squalene synthase
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squalene synthase
compound 6d [PMID: 7966163]
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squalene synthase
compound 4e [PMID: 7966163]
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squalene synthase
zaragozic acid C
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squalene synthase
zaragozic acid A
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squalene synthase
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5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor β subunit
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5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 subunit; glycine receptor β subunit
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Glycine Receptor (All subtypes); PAF receptor
ginkgolide B
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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
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Glycine Receptor (All subtypes); PAF receptor
carboxyatractyloside
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Mitochondrial adenine nucleotide translocator 1
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7α-Cl-ginkgolide B
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PAF receptor
7α-F-ginkgolide B
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PAF receptor
7α-OAc-ginkgolide B
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PAF receptor
zaragozic acid B
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squalene synthase
7-epi-ginkgolide C
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PAF receptor
10-OBn-7α-F-gingkolide B
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PAF receptor
10-OBn-ginkgolide B
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PAF receptor
10-OBn-ginkgolide C
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PAF receptor
10-OBn-epi-ginkgolide C
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PAF receptor
7α-N3-ginkgolide B
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PAF receptor
7α-NH2-ginkgolide B
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PAF receptor
7α-NHEt-ginkgolide B
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PAF receptor
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PAF receptor
7α-OCOCH2Ph-ginkgolide B
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PAF receptor
tirotundin
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Peroxisome proliferator-activated receptor-γ
tagitinin A
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Peroxisome proliferator-activated receptor-γ
compound 45 [PMID: 8709105]
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adenylyl cyclase 1
artemisinin
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null
FD1
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adenylyl cyclase 2
FD6
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adenylyl cyclase 5