General Characteristics
2D structure
NatID 229
Common Name Damnacanthal
Molecular Formula C16H10O5
Chemical Class Anthracenes > Anthraquinones
Molecular Weight 282.053 g/mol
Other names

 

Representations
Smiles COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O
Inchi InChI=1S/C16H10O5/c1-21-16-11(7-17)12(18)6-10-13(16)15(20)9-5-3-2-4-8(9)14(10)19/h2-7,18H,1H3
Inchi Key IPDMWUNUULAXLU-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 1.99
TPSA 80.67
HBD 1
HBA 5
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9679 Heterophyllaea pustulata No Very High Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o

 

Bioassay ID NPASS ID Target Activity type Activity