General Characteristics
2D structure
NatID 1390
Common Name NatID_1390
Molecular Formula C15H24O3
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 252.173 g/mol
Other names

 

Representations
Smiles C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)C2C1
Inchi InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12?,14-,15-/m1/s1
Inchi Key FXKCXGBBUBCRPU-FMCMVYLNSA-N
3D Structure

 

Calculated Properties
clogP 2.98
TPSA 57.53
HBD 2
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9927 Tessaria absinthioides No High Kurina Sanz, M. B., Donadel, O. J., Rossomando, P. C., Tonn, C. E., & Guerreiro, E. (1997). Sesquiterpenes from Tessaria absinthioides. Phytochemistry, 44(5), 897–900. https://doi.org/10.1016/s0031-9422(96)00590-0

 

Bioassay ID NPASS ID Target Activity type Activity