theaflavin
theaflavin
| SMILES | O=c1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c12 |
| InChIKey | IPMYMEWFZKHGAX-ZKSIBHASSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 9 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 564.1 |
Database connections
No bioactivity data available.
theaflavin
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV