General Characteristics
2D structure
NatID 981
Common Name NatID_981
Molecular Formula C15H24O
Chemical Class Organooxygen compounds > Alcohols and polyols
Molecular Weight 220.183 g/mol
Other names

 

Representations
Smiles C=C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]1/C=C/C(C)C
Inchi InChI=1S/C15H24O/c1-6-15(5)13(9-7-11(2)3)12(4)8-10-14(15)16/h6-7,9,11,13-14,16H,1,4,8,10H2,2-3,5H3/b9-7+/t13-,14-,15-/m0/s1
Inchi Key DXMDZNOPRIYRBA-DUIMAYQASA-N
3D Structure

 

Calculated Properties
clogP 3.72
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9078 Xenophyllum incisum No Very High de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006

 

Bioassay ID NPASS ID Target Activity type Activity