(4As,7S)-7-Hydroxy-1,4A-Dimethyl-7-Prop-1-En-2-Yl-4,5,6,8-Tetrahydro-3H-Naphthalen-2-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1949804 | |
| PubChem: | 57335617 | |
| IUPAC: | (4aS,7S)-7-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-4,5,6,8-tetrahydro-3H-naphthalen-2-one | |
| Standard InChI: | InChI=1S/C15H22O2/c1-10(2)15(17)8-7-14(4)6-5-13(16)11(3)12(14)9-15/h17H,1,5-9H2,2-4H3/t14-,15+/m1/s1 | |
| Standard InChI Key: | ILQHRBAJJAOTHE-CABCVRRESA-N | |
| SMILES: | O=C1CC[C@]2(C(=C1C)C[C@](CC2)(O)C(=C)C)C | |
Molecular propeties
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| AlogP: | 3.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 234.16 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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