Voleneol
Representations & DB's id
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| ChEBI: | CHEBI:68001 | |
|---|---|---|
| ChEMBL: | CHEMBL461399 | |
| PubChem: | 14137570 | |
| IUPAC: | (1S,2S,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol | |
| Standard InChI: | InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1 | |
| Standard InChI Key: | WKKJGHCXVKEJNU-QRTUWBSPSA-N | |
| SMILES: | C=C1CC[C@H]([C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(C)C)C)O | |
Molecular propeties
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| AlogP: | 2.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 238.19 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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