General Characteristics
2D structure
NatID 1648
Common Name NatID_1648
Molecular Formula C13H16O2
Chemical Class Benzofurans
Molecular Weight 204.115 g/mol
Other names 67594-77-8

 

Representations
Smiles C[C@@H]1CC[C@H]2C(=O)c3ccoc3C[C@@]12C
Inchi InChI=1S/C13H16O2/c1-8-3-4-10-12(14)9-5-6-15-11(9)7-13(8,10)2/h5-6,8,10H,3-4,7H2,1-2H3/t8-,10+,13+/m1/s1
Inchi Key SVKFQPIEJUCJEM-DVYJOKAKSA-N
3D Structure

 

Calculated Properties
clogP 3.07
TPSA 30.21
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 1
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10346 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