General Characteristics
2D structure
NatID 1079
Common Name NatID_1079
Molecular Formula C10H16O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 152.120 g/mol
Other names

 

Representations
Smiles CC1=C[C@@H](O)[C@H]2C[C@@H]1C2(C)C
Inchi InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
Inchi Key WONIGEXYPVIKFS-DJLDLDEBSA-N
3D Structure

 

Calculated Properties
clogP 1.97
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9227 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