General Characteristics
2D structure
NatID 1784
Common Name NatID_1784
Molecular Formula C16H10Br5N3O2
Chemical Class Indoles and derivatives > Indoles
Molecular Weight 670.669 g/mol
Other names 1610046-64-4

 

Representations
Smiles CO[C@H]1NC(=O)c2c(Br)c(Br)c(Br)n2[C@H]1c1c(Br)[nH]c2ccc(Br)cc12
Inchi InChI=1S/C16H10Br5N3O2/c1-26-16-11(8-6-4-5(17)2-3-7(6)22-13(8)20)24-12(15(25)23-16)9(18)10(19)14(24)21/h2-4,11,16,22H,1H3,(H,23,25)/t11-,16+/m0/s1
Inchi Key OZUXGRGTSROPBA-MEDUHNTESA-N
3D Structure

 

Calculated Properties
clogP 6.09
TPSA 59.05
HBD 2
HBA 3
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 26
Aromatic Carbocycles 1
Aromatic Heterocycles 2
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10509 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