General Characteristics
2D structure
NatID 1169
Common Name NatID_1169
Molecular Formula C15H28O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 224.214 g/mol
Other names

 

Representations
Smiles CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1
Inchi InChI=1S/C15H28O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h11-13,16H,5-10H2,1-4H3/t12-,13-,14-,15-/m1/s1
Inchi Key PWTWAHBPEXYEQQ-KBUPBQIOSA-N
3D Structure

 

Calculated Properties
clogP 4.00
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9402 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