General Characteristics
2D structure
NatID 1088
Common Name NatID_1088
Molecular Formula C15H24O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 220.183 g/mol
Other names

 

Representations
Smiles C=C1CC[C@@H]2[C@H](CC2(C)C)C(=C)C[C@H](O)C1
Inchi InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m1/s1
Inchi Key ASLIKDGYUZGYOV-MGPQQGTHSA-N
3D Structure

 

Calculated Properties
clogP 3.70
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
9236 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