General Characteristics
2D structure
NatID 1788
Common Name NatID_1788
Molecular Formula C26H10Br8N4O4
Chemical Class Pyrrolopyrazines
Molecular Weight 1073.417 g/mol
Other names 1610046-68-8

 

Representations
Smiles O=c1c2c(Br)c(Br)cn2c(-c2cc(Br)c(O)c(Br)c2)cn1-n1cc(-c2cc(Br)c(O)c(Br)c2)n2c(Br)c(Br)cc2c1=O
Inchi InChI=1S/C26H10Br8N4O4/c27-11-1-9(2-12(28)22(11)39)18-7-37(26(42)21-20(33)16(32)6-35(18)21)36-8-19(10-3-13(29)23(40)14(30)4-10)38-17(25(36)41)5-15(31)24(38)34/h1-8,39-40H
Inchi Key PTVJGXRBAVHEEH-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 9.67
TPSA 93.28
HBD 2
HBA 8
Rotatable Bonds 3
Aromatic Rings 6
Heavy Atoms 42
Aromatic Carbocycles 2
Aromatic Heterocycles 4
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
10513 Aspidostoma giganteum No Low Patiño C, L. P., Muniain, C., Knott, M. E., Puricelli, L., & Palermo, J. A. (2014). Bromopyrrole Alkaloids Isolated from the Patagonian Bryozoan Aspidostoma giganteum. Journal of Natural Products, 77(5), 1170–1178. https://doi.org/10.1021/np500012y

 

Bioassay ID NPASS ID Target Activity type Activity