Description
Neoechinulin A is isolated from Aspergillus chevalieri. It may block the phosphorylation of mitogen-activated protein kinase (MAPK) molecule p38, apoptosis signal-regulating kinase 1 (ASK-1) and nuclear translocation of nuclear factor-κB (NF-κB) p65 and p50 subunits.
Synonyms
(3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]meth ylene}-2,5-piperazinedione; (3S)-3α-Methyl-6-[(Z)-[2-(1,1-dimethyl-2-propenyl)-1H-indole-3-yl]methylene]hexahydropyrazine-2,5-dione
IUPAC Name
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Molecular Formula
C19H21N3O2
Canonical SMILES
CC1C(=O)NC(=CC2=C(NC3=CC=CC=C32)C(C)(C)C=C)C(=O)N1
InChI
InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
InChIKey
MYRPIYZIAHOECW-SAIXKJTDSA-N
Boiling Point
655.7±55.0°C (Predicted)
Application
antioxidant; anti-inflammatory; antioxidant/anti-nitration
pKa
11.96±0.40(Predicted)