General Characteristics
| NatID | 34 |
| Common Name | β-caryophyllene |
| Molecular Formula | C15H24 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 204.188 g/mol |
| Other names |
Representations
| Smiles | C=C1CCC=C(C)CC[C@@H]2[C@@H]1CC2(C)C |
| 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/t13-,14-/m1/s1 |
| Inchi Key | NPNUFJAVOOONJE-ZIAGYGMSSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.73 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9896 | Porophyllum obscurum | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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