Mycosporine glycine

Details

• Internal ID: c7a438f8-7842-4dd7-9910-16dba6a05141
• 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-oxocyclohexen-1-yl]amino]acetic acid
• InChI: InChI=1S/C10H15NO6/c1-17-9-6(11-4-8(14)15)2-10(16,5-12)3-7(9)13/h11-12,16H,2-5H2,1H3,(H,14,15)/t10-/m0/s1
• InChI Key: XZQILKYKJYHEHD-JTQLQIEISA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅NO₆
• Molecular Weight: 245.23 g/mol
• Exact Mass: 245.08993720 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: -1.50

Synonyms

• Marinox
• Mycosporin glycine
• Mycosporine glycine [INCI]
• UNII-F1B632BL75
• 65318-21-0
• F1B632BL75
• Glycine, N-((5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexen-1-yl)-
• SCHEMBL19129759
• DTXSID601046176
• Q27277508

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.67%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.72%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.68%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.68%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.26%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.04%	95.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.44%	96.95%
CHEMBL4208	P20618	Proteasome component C5	82.30%	90.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.63%	93.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14444486
• LOTUS: LTS0184767
• wikiData: Q27277508