epigallocatechin-3-gallate
SMILES | Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O |
InChIKey | WMBWREPUVVBILR-WIYYLYMNSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 8 |
Rotatable bonds | 3 |
Molecular weight (Da) | 458.1 |
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 | 4.37 | 4.37 | 4.37 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 4.47 | 4.47 | 4.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAS2R5 | TA2R5 | Human | Taste 2 | T2 | pEC50 | 4.91 | 4.91 | 4.91 | Guide to Pharmacology |