theaflavin-3′-O-gallate
SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3C=C(C=C(C4=O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O |
InChIKey | KMJPKUVSXFVQGZ-WQLSNUALSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 11 |
Rotatable bonds | 4 |
Molecular weight (Da) | 716.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
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 |
TAS2R39 | T2R39 | Human | Taste 2 | T2 | pEC50 | 6.17 | 6.17 | 6.17 | Guide to Pharmacology |