General Characteristics
2D structure
NatID 223
Common Name Parietin
Molecular Formula C16H12O5
Chemical Class Anthracenes > Anthraquinones
Molecular Weight 284.068 g/mol
Other names

 

Representations
Smiles COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
Inchi InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
Inchi Key FFWOKTFYGVYKIR-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.19
TPSA 83.83
HBD 2
HBA 5
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9994 Teloschistes flavicans No High Comini, L. R., Morán Vieyra, F. E., Mignone, R. A., Páez, P. L., Laura Mugas, M., Konigheim, B. S., Cabrera, J. L., Núñez Montoya, S. C., & Borsarelli, C. D. (2017). Parietin: an efficient photo-screening pigment in vivo with good photosensitizing and photodynamic antibacterial effects in vitro. Photochemical & Photobiological Sciences, 16(2), 201–210. https://doi.org/10.1039/c6pp00334f

 

Bioassay ID NPASS ID Target Activity type Activity