General Characteristics
2D structure
NatID 1001
Common Name NatID_1001
Molecular Formula C15H22
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 202.172 g/mol
Other names

 

Representations
Smiles CC1(C)C2C[C@H]3[C@@]14C=CCC(C)(C)[C@]34C2
Inchi InChI=1S/C15H22/c1-12(2)6-5-7-14-11-8-10(13(14,3)4)9-15(11,12)14/h5,7,10-11H,6,8-9H2,1-4H3/t10?,11-,14-,15-/m0/s1
Inchi Key KRRPIPKRJIIGHL-ZJINVJJNSA-N
3D Structure

 

Calculated Properties
clogP 4.02
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
9099 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