Fuscoatramide

Details

• Internal ID: abdeb38f-30a8-4b40-a43f-30a177f3f395
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives
• IUPAC Name: 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
• SMILES (Canonical): CC(=CC(=O)NCCCC(=O)O)CCO
• SMILES (Isomeric): C/C(=C/C(=O)NCCCC(=O)O)/CCO
• InChI: InChI=1S/C10H17NO4/c1-8(4-6-12)7-9(13)11-5-2-3-10(14)15/h7,12H,2-6H2,1H3,(H,11,13)(H,14,15)/b8-7-
• InChI Key: CPVSDCNZYNEHTP-FPLPWBNLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₇NO₄
• Molecular Weight: 215.25 g/mol
• Exact Mass: 215.11575802 g/mol
• Topological Polar Surface Area (TPSA): 86.60 Ų
• XlogP: 0.10

Synonyms

• 4-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
• 476485-50-4
• 4-(((Z)-5-hydroxy-3-methylpent-2-enoyl)amino)butanoic acid
• RefChem:141963
• CHEBI:202704
• (Z)-4-(5-Hydroxy-3-methylpent-2-enamido)butanoic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.11%	83.82%
CHEMBL2581	P07339	Cathepsin D	96.35%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.91%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.75%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.51%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.35%	94.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10976838
• LOTUS: LTS0208754
• wikiData: Q77373025