General Characteristics
2D structure
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