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Chemical structure of Neoechinulin A

GC64126

Neoechinulin A

Also known as (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione

Neoechinulin A is an isoprenyl indole alkaloid that exhibits scavenging, neurotrophic factor-like, and anti-apoptotic activities

ChemicalCAS51551-29-2MW323.39FormulaC19H21N3O2
CAS number
51551-29-2
Molecular weight
323.39
Formula
C19H21N3O2
InChIKey
MYRPIYZIAHOECW-SAIXKJTDSA-N
Catalogue number
GC64126
Brand
GLPBIO
Computed properties PubChem CID 9996305 · XLogP 3.3 · TPSA 74 Ų · H-bond donors 3
XLogP
3.3
TPSA
74 Ų
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24

SMILES C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1

Computed descriptors from PubChem (CID 9996305), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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