General Characteristics
2D structure
NatID 1407
Common Name NatID_1407
Molecular Formula C20H26O4
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 330.183 g/mol
Other names

 

Representations
Smiles C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C
Inchi InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-15(21)8-7-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6+/t13-,14-,18-,20+/m0/s1
Inchi Key WXXUTDJJIXJPLZ-WMUXPDRISA-N
3D Structure

 

Calculated Properties
clogP 4.32
TPSA 56.51
HBD 0
HBA 4
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 24
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10029 Senecio filaginoides No Unknown de Salmeron, M., Kavka, J., & Giordano, O. (1983). Furanoeremophilanes inSenecio filaginoidesandS. pinnatus. Planta Medica, 47(04), 221–223. https://doi.org/10.1055/s-2007-969991

 

Bioassay ID NPASS ID Target Activity type Activity