theaflavin
SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O |
InChIKey | IPMYMEWFZKHGAX-ZKSIBHASSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 9 |
Rotatable bonds | 2 |
Molecular weight (Da) | 564.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |