General Characteristics
2D structure
NatID 1399
Common Name NatID_1399
Molecular Formula C20H34O
Chemical Class Prenol lipids > Triterpenoids
Molecular Weight 290.261 g/mol
Other names

 

Representations
Smiles C=C[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1
Inchi InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m0/s1
Inchi Key IGGWKHQYMAJOHK-GRLGQGAKSA-N
3D Structure

 

Calculated Properties
clogP 5.74
TPSA 9.23
HBD 0
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 21
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9973 Smallanthus connatus No High Bach, S. M., Schuff, C., Grau, A., & Catalán, C. A. N. (2007). Melampolides and other constituents from Smallanthus connatus. Biochemical Systematics and Ecology, 35(11), 785–789. https://doi.org/10.1016/j.bse.2007.03.015

 

Bioassay ID NPASS ID Target Activity type Activity