General Characteristics
2D structure
NatID 1082
Common Name NatID_1082
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names

 

Representations
Smiles CC1=C[C@@H](O)[C@H](C(C)C)CC1
Inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1
Inchi Key HPOHAUWWDDPHRS-VHSXEESVSA-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
9230 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