silibinin


SMILES COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChIKey SEBFKMXJBCUCAI-HKTJVKLFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 482.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

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
TSH TSHR Human Glycoprotein hormone A Potency 5.6 5.6 5.6 ChEMBL
TAS2R14 T2R14 Human Taste 2 T2 pEC50 4.25 4.25 4.25 Guide to Pharmacology