General Characteristics
2D structure
NatID 280
Common Name 6α-Acetyloxy- 10βH-furanoeremophil- 1-one
Molecular Formula C17H22O4
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 290.152 g/mol
Other names

 

Representations
Smiles CC(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C
Inchi InChI=1S/C17H22O4/c1-9-8-20-14-7-12-13(19)6-5-10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12,16H,5-7H2,1-4H3/t10-,12-,16-,17+/m0/s1
Inchi Key UBOCVBLWMPLUFQ-OUUZYCIPSA-N
3D Structure

 

Calculated Properties
clogP 3.37
TPSA 56.51
HBD 0
HBA 4
Rotatable Bonds 1
Aromatic Rings 1
Heavy Atoms 21
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10028 Senecio filaginoides No Unknown de Salmeron, M., Kavka, J., & Giordano, O. (1983). Furanoeremophilanes inSenecio filaginoidesandS. pinnatus. Planta Medica, 47(04), 221–223. https://doi.org/10.1055/s-2007-969991

 

Bioassay ID NPASS ID Target Activity type Activity