7α-OAc-ginkgolide B   

GtoPdb Ligand ID: 1846

Abbreviated name: 7α-OAc-GB
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 175.12
Molecular weight 482.14
XLogP -0.35
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O
Isomeric SMILES CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O
InChI InChI=1S/C22H26O12/c1-6-14(26)31-13-10(24)20-12-8(30-7(2)23)9(18(3,4)5)19(20)11(25)15(27)33-17(19)34-22(20,16(28)32-12)21(6,13)29/h6,8-13,17,24-25,29H,1-5H3/t6?,8?,9?,10?,11-,12?,13-,17?,19?,20?,21+,22-/m0/s1
InChI Key PTVXMWRAVPFHBG-OIYCRRHPSA-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]
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squalene synthase
L-735021
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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
picrotoxinin
Targets
5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 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
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Mitochondrial adenine nucleotide translocator 1
forskolin
NKH477
7α-Cl-ginkgolide B
Targets
PAF receptor
7α-F-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
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PAF receptor
10-OBn-epi-ginkgolide C
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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
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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