7α-OCOCH2Ph-ginkgolide B   Click here for help

GtoPdb Ligand ID: 1847

Abbreviated name: 7α-OCOCH2Ph-GB
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 12
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 175.12
Molecular weight 558.17
XLogP 1.17
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(OC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O)Cc1ccccc1
Isomeric SMILES O=C(O[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O)Cc1ccccc1
InChI InChI=1S/C28H30O12/c1-11-20(32)37-19-16(30)26-18-14(36-13(29)10-12-8-6-5-7-9-12)15(24(2,3)4)25(26)17(31)21(33)39-23(25)40-28(26,22(34)38-18)27(11,19)35/h5-9,11,14-19,23,30-31,35H,10H2,1-4H3/t11?,14-,15?,16?,17-,18?,19-,23?,25?,26?,27+,28-/m0/s1
InChI Key IYWGNBBAQNQGIC-MAVMKJRYSA-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
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 5d [PMID: 7966163]
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