RUTIN


SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey IKGXIBQEEMLURG-NVPNHPEKSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 6
Molecular weight (Da) 610.2

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
α2C ADA2C Human Adrenoceptors A pKi 5.02 5.02 5.02 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.03 5.03 5.03 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NMU2 NMUR2 Human Neuromedin U A pEC50 5.92 5.92 5.92 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pEC50 8.23 8.23 8.23 Drug Central