General Characteristics
2D structure
NatID 1000
Common Name NatID_1000
Molecular Formula C15H26O
Chemical Class Tetrahydrofurans
Molecular Weight 222.198 g/mol
Other names

 

Representations
Smiles C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@H](C)CC[C@H]13
Inchi InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15-/m0/s1
Inchi Key GXMJXGUEPXEOGR-BGPZULBFSA-N
3D Structure

 

Calculated Properties
clogP 4.02
TPSA 9.23
HBD 0
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9098 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