General Characteristics
2D structure
NatID 1095
Common Name NatID_1095
Molecular Formula C15H24O
Chemical Class Organooxygen compounds > Alcohols and polyols
Molecular Weight 220.183 g/mol
Other names 227606-70-4

 

Representations
Smiles C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@H]1C[C@]12C
Inchi InChI=1S/C15H24O/c1-10-5-6-15(16)12(10)9-13(2,3)7-11-8-14(11,15)4/h9-11,16H,5-8H2,1-4H3/t10-,11+,14-,15+/m1/s1
Inchi Key NPYWCGZXPHXONM-BVIHXZOGSA-N
3D Structure

 

Calculated Properties
clogP 3.53
TPSA 20.23
HBD 1
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
9243 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 Fricke, C., Hardt, I. H., König, W. A., Joulain, D., Zygadlo, J. A., & Guzmàn, C. A. (1999). Sesquiterpenes from Lippia integrifolia Essential Oil. Journal of Natural Products, 62(5), 694–696. https://doi.org/10.1021/np980424v

 

Bioassay ID NPASS ID Target Activity type Activity