aloin


SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
InChIKey AFHJQYHRLPMKHU-CGISPIQUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 3
Molecular weight (Da) 418.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 8.17 8.17 8.17 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database