7α-OAc-ginkgolide B


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
InChIKey PTVXMWRAVPFHBG-OIYCRRHPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 1
Molecular weight (Da) 482.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pKi 9.7 9.7 9.7 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 8.58 8.98 9.2 ChEMBL
H3 HRH3 Human Histamine A pKi 9.59 9.77 9.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pIC50 9.26 9.26 9.26 ChEMBL