General Characteristics
2D structure
NatID 997
Common Name NatID_997
Molecular Formula C15H22O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 218.167 g/mol
Other names

 

Representations
Smiles C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
Inchi InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1
Inchi Key KUFXJZXMWHNCEH-DOMZBBRYSA-N
3D Structure

 

Calculated Properties
clogP 4.05
TPSA 17.07
HBD 0
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
9095 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