6,10-Dimethyl-3-Methylene-(3As,11Ar)-2H,4H,5H,8H,9H-Cyclodeca[B]Furan-2-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL190377 | |
| PubChem: | 5458201 | |
| IUPAC: | (3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one | |
| Standard InChI: | InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-/t13-,14+/m0/s1 | |
| Standard InChI Key: | HRYLQFBHBWLLLL-IKTIWSOHSA-N | |
| SMILES: | C/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=CCC1)/C | |
Molecular propeties
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| AlogP: | 3.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 232.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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