Isolongifolene
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3183415 | |
| PubChem: | 11127402 | |
| IUPAC: | (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene | |
| Standard InChI: | InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1 | |
| Standard InChI Key: | CQUAYTJDLQBXCQ-NHYWBVRUSA-N | |
| SMILES: | CC1(C)[C@H]2CC[C@@]3(C1=CCCC3(C)C)C2 | |
Molecular propeties
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| AlogP: | 4.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 204.19 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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