General Characteristics
2D structure
NatID 224
Common Name 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione
Molecular Formula C18H16O7
Chemical Class Benzene and substituted derivatives > Acetophenones
Molecular Weight 344.090 g/mol
Other names

 

Representations
Smiles CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O
Inchi InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1
Inchi Key WEYVVCKOOFYHRW-GOSISDBHSA-N
3D Structure

 

Calculated Properties
clogP 2.13
TPSA 121.13
HBD 3
HBA 7
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 25
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9815 Usnea amblyoclada No High Peralta, M., da Silva, M., Ortega, M., Cabrera, J., & Paraje, M. (2016). Usnic Acid Activity on Oxidative and Nitrosative Stress of Azole-Resistant Candida albicans Biofilm. Planta Medica, 83(03/04), 326–333. https://doi.org/10.1055/s-0042-116442

 

Bioassay ID NPASS ID Target Activity type Activity