General Characteristics
2D structure
NatID 73
Common Name Ilicol
Molecular Formula C15H26O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 238.193 g/mol
Other names ilicol

 

Representations
Smiles C=C(CO)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1
Inchi InChI=1S/C15H26O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15-/m1/s1
Inchi Key RMARCXQAHOJNRB-KBUPBQIOSA-N
3D Structure

 

Calculated Properties
clogP 2.89
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9399 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
9760 Tessaria absinthioides No Unknown León, L. G., Donadel, O. J., Tonn, C. E., & Padrón, J. M. (2009). Tessaric acid derivatives induce G2/M cell cycle arrest in human solid tumor cell lines. Bioorganic & Medicinal Chemistry, 17(17), 6251–6256. https://doi.org/10.1016/j.bmc.2009.07.053

 

Bioassay ID NPASS ID Target Activity type Activity