theaflavin-3′-O-gallate
theaflavin-3′-O-gallate
| SMILES | O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1)c1cc(O)c(O)c(O)c1 |
| InChIKey | KMJPKUVSXFVQGZ-WQLSNUALSA-N |
Chemical Properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 11 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 716.1 |
Database connections
No bioactivity data available.
theaflavin-3′-O-gallate
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No