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 |