Beta-Elemene
Representations & DB's id
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| ChEBI: | CHEBI:62855 | |
|---|---|---|
| ChEMBL: | CHEMBL448502 | |
| PubChem: | 6918391 | |
| IUPAC: | (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane | |
| Standard InChI: | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1 | |
| Standard InChI Key: | OPFTUNCRGUEPRZ-QLFBSQMISA-N | |
| SMILES: | C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C | |
Molecular propeties
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| AlogP: | 4.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| 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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