General Characteristics
2D structure
NatID 1073
Common Name NatID_1073
Molecular Formula C10H18O2
Chemical Class Tetrahydrofurans
Molecular Weight 170.131 g/mol
Other names

 

Representations
Smiles C=C[C@]1(C)CC[C@H](C(C)(C)O)O1
Inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
Inchi Key BRHDDEIRQPDPMG-PSASIEDQSA-N
3D Structure

 

Calculated Properties
clogP 1.88
TPSA 29.46
HBD 1
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 12
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9219 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