epicatechin gallate
SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
InChIKey | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 7 |
Rotatable bonds | 3 |
Molecular weight (Da) | 442.1 |
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 |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 4.02 | 4.02 | 4.02 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 4.33 | 4.33 | 4.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAS2R39 | T2R39 | Human | Taste 2 | T2 | pEC50 | 4.67 | 4.67 | 4.67 | Guide to Pharmacology |