General Characteristics
2D structure
NatID 1647
Common Name NatID_1647
Molecular Formula C15H26O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 222.198 g/mol
Other names 62121-19-1

 

Representations
Smiles C=C[C@@]1(O)CC[C@@]2(C)[C@H](C)CC[C@@]2(C)[C@@H]1C
Inchi InChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13+,14+,15-/m1/s1
Inchi Key TUCSIUBDOHTKKQ-CAEXGNQWSA-N
3D Structure

 

Calculated Properties
clogP 3.78
TPSA 20.23
HBD 1
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
10345 Porella chilensis No Low Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d

 

Bioassay ID NPASS ID Target Activity type Activity