General Characteristics
2D structure
NatID 1710
Common Name NatID_1710
Molecular Formula C14H20O3
Chemical Class Dihydrofurans > Furanones
Molecular Weight 236.141 g/mol
Other names 176678-82-3

 

Representations
Smiles CC1(C)CC2=C(C(=O)O[C@@]2(C)O)[C@]2(C)C[C@@H]2C1
Inchi InChI=1S/C14H20O3/c1-12(2)5-8-6-13(8,3)10-9(7-12)14(4,16)17-11(10)15/h8,16H,5-7H2,1-4H3/t8-,13+,14+/m0/s1
Inchi Key BCLYZTYBUNEZFV-MCCGJVOXSA-N
3D Structure

 

Calculated Properties
clogP 2.39
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10432 Porella swartziana No Low Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z

 

Bioassay ID NPASS ID Target Activity type Activity