(-)-Acorenone
Representations & DB's id
| ||
| ChEBI: | CHEBI:68151 | |
|---|---|---|
| ChEMBL: | CHEMBL1814555 | |
| PubChem: | 12480741 | |
| IUPAC: | (1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one | |
| Standard InChI: | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1 | |
| Standard InChI Key: | HBTHUBMUAHAWBC-YDHLFZDLSA-N | |
| SMILES: | O=C1C[C@@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C | |
Molecular propeties
| ||
| AlogP: | 3.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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