grandinin
| SMILES | C1C2C(C3C4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8([C@@H]([C@@H](C(O8)CO)O)O)O)OC(=O)C9=CC(=C(C(=C9C%10=C(C(=C(C=C%10C(=O)O1)O)O)O)O)O)O |
| InChIKey | GCEXRPOQEVIITL-XJDSPLDHSA-N |
Chemical properties
| Hydrogen bond acceptors | 30 |
| Hydrogen bond donors | 19 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 1066.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
| TAS2R7 | TA2R7 | Human | Taste 2 | T2 | pEC50 | 5.61 | 5.61 | 5.61 | Guide to Pharmacology |