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 |
Endogenous/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 |
δ | OPRD | Human | Opioid | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.92 | 6.92 | 6.92 | ChEMBL |