malvidin-3-glucoside
SMILES | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
InChIKey | PXUQTDZNOHRWLI-OXUVVOBNSA-O |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 7 |
Rotatable bonds | 6 |
Molecular weight (Da) | 493.1 |
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 |
H3 | HRH3 | Guinea pig | Histamine | A | pKd | 8.27 | 8.27 | 8.27 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |