General Characteristics
2D structure
NatID 1170
Common Name NatID_1170
Molecular Formula C17H28O3
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 280.204 g/mol
Other names

 

Representations
Smiles C=C(COC(C)=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1
Inchi InChI=1S/C17H28O3/c1-12(11-20-13(2)18)14-6-9-16(3)7-5-8-17(4,19)15(16)10-14/h14-15,19H,1,5-11H2,2-4H3/t14-,15-,16-,17-/m1/s1
Inchi Key UOKLGVKHFZAGPZ-QBPKDAKJSA-N
3D Structure

 

Calculated Properties
clogP 3.46
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9403 Flourensia oolepis No Very High Guerreiro, E., Kavka, J., Giordano, O. S., & Gros, E. G. (1979). Sesquiterpenoids and flavonoids from Flourensia oolepis. Phytochemistry, 18(7), 1235–1237. https://doi.org/10.1016/0031-9422(79)80148-x

 

Bioassay ID NPASS ID Target Activity type Activity