General Characteristics
2D structure
NatID 1783
Common Name NatID_1783
Molecular Formula C15H8Br5N3O2
Chemical Class Indoles and derivatives > Indoles
Molecular Weight 656.653 g/mol
Other names 1610046-63-3

 

Representations
Smiles O=C1N[C@H](O)[C@H](c2c(Br)[nH]c3ccc(Br)cc23)n2c(Br)c(Br)c(Br)c21
Inchi InChI=1S/C15H8Br5N3O2/c16-4-1-2-6-5(3-4)7(12(19)21-6)10-14(24)22-15(25)11-8(17)9(18)13(20)23(10)11/h1-3,10,14,21,24H,(H,22,25)/t10-,14+/m0/s1
Inchi Key DEYRSKKACWHNTP-IINYFYTJSA-N
3D Structure

 

Calculated Properties
clogP 5.43
TPSA 70.05
HBD 3
HBA 3
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 25
Aromatic Carbocycles 1
Aromatic Heterocycles 2
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10508 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