N-methylpalythine

Details

• Internal ID: b9fb7c09-c0be-43ad-86d6-82a96663a425
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyliminocyclohexen-1-yl]amino]acetic acid
• InChI: InChI=1S/C11H18N2O5/c1-12-7-3-11(17,6-14)4-8(10(7)18-2)13-5-9(15)16/h13-14,17H,3-6H2,1-2H3,(H,15,16)/t11-/m1/s1
• InChI Key: SUHDWLVRBMFGPX-LLVKDONJSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₈N₂O₅
• Molecular Weight: 258.27 g/mol
• Exact Mass: 258.12157168 g/mol
• Topological Polar Surface Area (TPSA): 111.00 Ų
• XlogP: -1.30

Synonyms

• DTXSID901334451

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	96.37%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.96%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.27%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.65%	96.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.62%	85.14%
CHEMBL2581	P07339	Cathepsin D	86.68%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.19%	99.17%
CHEMBL4208	P20618	Proteasome component C5	81.61%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.01%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.50%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 155802333
• LOTUS: LTS0029391
• wikiData: Q105260942