General Characteristics
2D structure
NatID 1050
Common Name NatID_1050
Molecular Formula C11H18O2
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 182.131 g/mol
Other names

 

Representations
Smiles CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC=O)C2
Inchi InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m0/s1
Inchi Key RDWUNORUTVEHJF-ATZCPNFKSA-N
3D Structure

 

Calculated Properties
clogP 2.37
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 13
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9181 Aristolochia argentina No Very High Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3

 

Bioassay ID NPASS ID Target Activity type Activity