grandinin


SMILES C1C2C(C3C4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8([C@@H]([C@@H](C(O8)CO)O)O)O)OC(=O)C9=CC(=C(C(=C9C%10=C(C(=C(C=C%10C(=O)O1)O)O)O)O)O)O
InChIKey GCEXRPOQEVIITL-XJDSPLDHSA-N

Chemical properties

Hydrogen bond acceptors 30
Hydrogen bond donors 19
Rotatable bonds 2
Molecular weight (Da) 1066.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R7 TA2R7 Human Taste 2 T pEC50 5.61 5.61 5.61 Guide to Pharmacology