General Characteristics
2D structure
NatID 1080
Common Name NatID_1080
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names

 

Representations
Smiles CC(C)[C@@H]1C=C[C@@](C)(O)CC1
Inchi InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m1/s1
Inchi Key IZXYHAXVIZHGJV-NXEZZACHSA-N
3D Structure

 

Calculated Properties
clogP 2.36
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
9228 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