Beta-Bisabolene
Representations & DB's id
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| ChEBI: | CHEBI:49266 | |
|---|---|---|
| ChEMBL: | CHEMBL444389 | |
| PubChem: | 68128 | |
| IUPAC: | (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene | |
| Standard InChI: | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1 | |
| Standard InChI Key: | XZRVRYFILCSYSP-HNNXBMFYSA-N | |
| SMILES: | CC(=CCCC(=C)[C@@H]1CCC(=CC1)C)C | |
Molecular propeties
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| AlogP: | 5.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 204.19 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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