General Characteristics
2D structure
NatID 1714
Common Name NatID_1714
Molecular Formula C14H20O2
Chemical Class Dihydrofurans > Furanones
Molecular Weight 220.146 g/mol
Other names 655243-27-9

 

Representations
Smiles C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C
Inchi InChI=1S/C14H20O2/c1-8-10-7-13(2,3)5-9-6-14(9,4)11(10)12(15)16-8/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1
Inchi Key JYVVXGYNFYHSER-UINNMSKDSA-N
3D Structure

 

Calculated Properties
clogP 3.07
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10436 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