General Characteristics
2D structure
NatID 1049
Common Name NatID_1049
Molecular Formula C15H24
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 204.188 g/mol
Other names

 

Representations
Smiles CC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C
Inchi InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3/t11-,12-,15+/m1/s1
Inchi Key RTBLDXVIGWSICW-JMSVASOKSA-N
3D Structure

 

Calculated Properties
clogP 4.56
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
9180 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