Beta-Selinene
Representations & DB's id
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| ChEBI: | CHEBI:10443 | |
|---|---|---|
| ChEMBL: | CHEMBL2287242 | |
| PubChem: | 442393 | |
| IUPAC: | (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene | |
| Standard InChI: | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1 | |
| Standard InChI Key: | YOVSPTNQHMDJAG-QLFBSQMISA-N | |
| SMILES: | C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C | |
Molecular propeties
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| AlogP: | 4.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 204.19 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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