(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid

Details

• Internal ID: f65669f3-b70f-4554-bbab-4b2b873860d8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives
• IUPAC Name: (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
• InChI: InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1
• InChI Key: AQGCSVBPRRQXIN-XINAWCOVSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₉NO₃
• Molecular Weight: 155.15 g/mol
• Exact Mass: 155.058243149 g/mol
• Topological Polar Surface Area (TPSA): 80.40 Ų
• XlogP: -2.50

Synonyms

• SCHEMBL14648913
• CHEBI:60857
• C19831
• Q27129051

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.02%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	92.23%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.92%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.47%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.33%	97.09%
CHEMBL2581	P07339	Cathepsin D	83.16%	98.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.62%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 49852389
• LOTUS: LTS0110135
• wikiData: Q27129051