aristolochic acid


SMILES COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
InChIKey BBFQZRXNYIEMAW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 341.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8XQL 8XQO 8XQP 8XQN

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
TAS2R14 T2R14 Human Taste 2 T2 pEC50 6.31 6.31 6.31 Guide to Pharmacology
TAS2R31 T2R31 Human Taste 2 T2 pEC50 6.35 6.35 6.35 Guide to Pharmacology
TAS2R43 T2R43 Human Taste 2 T2 pEC50 7.1 7.1 7.1 Guide to Pharmacology