General Characteristics
2D structure
NatID 1072
Common Name NatID_1072
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names

 

Representations
Smiles CC(C)[C@@]12CC[C@](C)(O)[C@@H]1C2
Inchi InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
Inchi Key KXSDPILWMGFJMM-GUBZILKMSA-N
3D Structure

 

Calculated Properties
clogP 2.19
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9218 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
9425 Helenium argentinum No Very High Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999

 

Bioassay ID NPASS ID Target Activity type Activity