General Characteristics
2D structure
NatID 1045
Common Name NatID_1045
Molecular Formula C15H24
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 204.188 g/mol
Other names

 

Representations
Smiles CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2
Inchi InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
Inchi Key YMBFCQPIMVLNIU-SOUVJXGZSA-N
3D Structure

 

Calculated Properties
clogP 4.73
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
9176 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
9428 Helenium argentinum No Very High Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999

 

Bioassay ID NPASS ID Target Activity type Activity