(-)-Isoshyobunone
Representations & DB's id
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| ChEBI: | CHEBI:68150 | |
|---|---|---|
| ChEMBL: | CHEMBL1814554 | |
| PubChem: | 5318673 | |
| IUPAC: | (3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one | |
| Standard InChI: | InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3/t12-,15+/m0/s1 | |
| Standard InChI Key: | YMIHAYABXZORPU-SWLSCSKDSA-N | |
| SMILES: | C=C[C@]1(C)CC[C@H](C(=O)C1=C(C)C)C(C)C | |
Molecular propeties
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| AlogP: | 4.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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