Caryophyllene
Representations & DB's id
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| ChEBI: | CHEBI:5993 | |
|---|---|---|
| ChEMBL: | CHEMBL448700 | |
| PubChem: | 5281522 | |
| IUPAC: | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | |
| Standard InChI: | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 | |
| Standard InChI Key: | NPNUFJAVOOONJE-FLFDDASRSA-N | |
| SMILES: | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C | |
Molecular propeties
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| AlogP: | 4.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| 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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