compound 5d [PMID: 7966163]   Click here for help

GtoPdb Ligand ID: 3082

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 24
Topological polar surface area 232.65
Molecular weight 722.31
XLogP 5.2
No. Lipinski's rules broken 3
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCCCCCOC(=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
Isomeric SMILES CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C
InChI InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1
InChI Key PDGYNYIQKDRVIT-JCIOCXPTSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
10-OBn-7α-F-gingkolide B
Click here for ligand page
Targets
PAF receptor
10-OBn-ginkgolide B
Click here for ligand page
Targets
PAF receptor
10-OBn-ginkgolide C
Click here for ligand page
Targets
PAF receptor
10-OBn-epi-ginkgolide C
Click here for ligand page
Targets
PAF receptor
7α-Cl-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-F-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-N3-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-NH2-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-NHEt-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-NHMe-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-OAc-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7α-OCOCH2Ph-ginkgolide B
Click here for ligand page
Targets
PAF receptor
7-epi-ginkgolide C
Click here for ligand page
Targets
PAF receptor
ginkgolide A
Click here for ligand page
Targets
Glycine Receptor (All subtypes); PAF receptor
ginkgolide B
Click here for ligand page
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
Click here for ligand page
Targets
Glycine Receptor (All subtypes); PAF receptor
ginkgolide J
Click here for ligand page
Targets
Glycine Receptor (All subtypes); PAF receptor
picrotoxinin
Click here for ligand page
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
bilobalide
Click here for ligand page
Targets
5-HT3A; 5-HT3AB; Glycine Receptor (All subtypes); glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor β subunit
zaragozic acid A
Click here for ligand page
Targets
squalene synthase
zaragozic acid C
Click here for ligand page
Targets
squalene synthase
compound 6c [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
compound 6d [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
compound 4e [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
compound 5d [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
compound 16a [Sharratt et al., 1994]
Click here for ligand page
Targets
squalene synthase
compound 3f [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
L-735021
Click here for ligand page
Targets
squalene synthase
compound 6g [PMID: 7966163]
Click here for ligand page
Targets
squalene synthase
picrotoxin
Click here for ligand page
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
1,9-dideoxyforskolin
Click here for ligand page
Targets
VRAC
picrotin
Click here for ligand page
Targets
glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 subunit; glycine receptor β subunit
carboxyatractyloside
Click here for ligand page
Targets
Mitochondrial adenine nucleotide translocator 1
forskolin
Click here for ligand page
NKH477
Click here for ligand page
zaragozic acid B
Click here for ligand page
Targets
squalene synthase
tirotundin
Click here for ligand page
Targets
Peroxisome proliferator-activated receptor-γ
tagitinin A
Click here for ligand page
Targets
Peroxisome proliferator-activated receptor-γ
compound 45 [PMID: 8709105]
Click here for ligand page
Targets
adenylyl cyclase 1
artemisinin
Click here for ligand page
Targets
null
FD1
Click here for ligand page
Targets
adenylyl cyclase 2
FD6
Click here for ligand page
Targets
adenylyl cyclase 5