zaragozic acid A   

GtoPdb Ligand ID: 3057

Synonyms: L 694599 | L-694599 | squalestatin | squalestatin 1
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 223.42
Molecular weight 690.29
XLogP 4.26
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCC(CC(C=CC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)C(C(Cc1ccccc1)C)OC(=O)C)C)C
Isomeric SMILES CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C
InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1
InChI Key DFKDOZMCHOGOBR-NCSQYGPNSA-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
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
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
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Glycine Receptor (All subtypes); PAF receptor
ginkgolide J
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Glycine Receptor (All subtypes); PAF receptor
carboxyatractyloside
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Mitochondrial adenine nucleotide translocator 1
forskolin
NKH477
7α-Cl-ginkgolide B
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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
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PAF receptor
10-OBn-ginkgolide C
Targets
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
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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]
Targets
adenylyl cyclase 1
artemisinin
Targets
null
FD1
Targets
adenylyl cyclase 2
FD6
Targets
adenylyl cyclase 5