General Characteristics
2D structure
NatID 367
Common Name Lippifoli-1(6)-En-5-One
Molecular Formula C15H22O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 218.167 g/mol
Other names

 

Representations
Smiles C[C@@H]1CCC2=C(C1=O)C(C)(C)C[C@H]1C[C@@]21C
Inchi InChI=1S/C15H22O/c1-9-5-6-11-12(13(9)16)14(2,3)7-10-8-15(10,11)4/h9-10H,5-8H2,1-4H3/t9-,10+,15-/m1/s1
Inchi Key GGVZJDBDOZDSMR-HFBDOXOYSA-N
3D Structure

 

Calculated Properties
clogP 3.74
TPSA 17.07
HBD 0
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9203 Lippia integrifolia No Unknown del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736

 

Bioassay ID NPASS ID Target Activity type Activity