General Characteristics
2D structure
NatID 368
Common Name Lippifoli-1(6)-en-4β-ol-5-one
Molecular Formula C15H22O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 234.162 g/mol
Other names 155556-71-1

 

Representations
Smiles CC1(C)C[C@H]2C[C@@]2(C)C2=C1C(=O)[C@@](C)(O)CC2
Inchi InChI=1S/C15H22O2/c1-13(2)7-9-8-14(9,3)10-5-6-15(4,17)12(16)11(10)13/h9,17H,5-8H2,1-4H3/t9-,14+,15-/m0/s1
Inchi Key QDNBEGKPBFOPJU-AMFBXLIHSA-N
3D Structure

 

Calculated Properties
clogP 2.85
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9202 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 Catalán, C. A. N., de Lampasona, M. E. P., de Fenik, I. J. S., Cerda-García-Rojas, C. M., Mora-Pérez, Y., & Joseph-Nathan, P. (1994). Minor Constituents of Lippia integrifolia. Journal of Natural Products, 57(2), 206–210. https://doi.org/10.1021/np50104a002

 

Bioassay ID NPASS ID Target Activity type Activity