General Characteristics
2D structure
NatID 1051
Common Name NatID_1051
Molecular Formula C15H24
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 204.188 g/mol
Other names

 

Representations
Smiles C[C@@H]1CCC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3
Inchi InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,13+,14+,15-/m1/s1
Inchi Key XGEWXQPYPMTSBD-BYGOPZEFSA-N
3D Structure

 

Calculated Properties
clogP 4.25
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
9182 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