Verbenone
Representations & DB's id
| ||
| ChEBI: | CHEBI:9955 | |
|---|---|---|
| ChEMBL: | CHEMBL1409937 | |
| PubChem: | 65724 | |
| IUPAC: | (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one | |
| Standard InChI: | InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 | |
| Standard InChI Key: | DCSCXTJOXBUFGB-SFYZADRCSA-N | |
| SMILES: | CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C | |
Molecular propeties
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| AlogP: | 2.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 150.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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