(-)-α-thujone
SMILES | O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C |
InChIKey | USMNOWBWPHYOEA-MRTMQBJTSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 152.1 |
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 |
TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TRH1 | TRHR | Mouse | Thyrotropin-releasing hormone | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |