General Characteristics
2D structure
NatID 1763
Common Name NatID_1763
Molecular Formula C14H8O2
Chemical Class Anthracenes > Anthraquinones
Molecular Weight 208.052 g/mol
Other names 84-65-1

 

Representations
Smiles O=C1c2ccccc2C(=O)c2ccccc21
Inchi InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
Inchi Key RZVHIXYEVGDQDX-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.46
TPSA 34.14
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 2
Heavy Atoms 16
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10488 Heterophyllaea pustulata No Low 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