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Chemical structure of Deoxybrevianamide E

GC41304

Deoxybrevianamide E

Also known as (3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Deoxybrevianamide E is an alkaloid fungal metabolite that has been found in Aspergillus

ChemicalCAS34610-68-9MW351.4FormulaC21H25N3O2
CAS number
34610-68-9
Molecular weight
351.4
Formula
C21H25N3O2
Solubility
Soluble in DMSO
InChIKey
KUGNSEAHJVSMAJ-IRXDYDNUSA-N
Catalogue number
GC41304
Brand
GLPBIO
Computed properties PubChem CID 182203 · XLogP 3.5 · TPSA 65.2 Ų · H-bond donors 2
XLogP
3.5
TPSA
65.2 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
26

SMILES CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3

Computed descriptors from PubChem (CID 182203), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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