(S)-Morelid

Details

• Internal ID: 054dc527-629e-4a43-b5a5-f4643f161ff0
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: (2S)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
• SMILES (Canonical): C(C1C(C(C(C(O1)OC(CC(=O)O)C(=O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](CC(=O)O)C(=O)O)O)O)O)O
• InChI: InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1
• InChI Key: OCIAPZWBJQRATB-UALZLMCPSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₁₀
• Molecular Weight: 296.23 g/mol
• Exact Mass: 296.07434670 g/mol
• Topological Polar Surface Area (TPSA): 174.00 Ų
• XlogP: -2.90

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.52%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.78%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.97%	99.17%
CHEMBL2581	P07339	Cathepsin D	86.00%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	83.93%	83.82%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.94%	95.89%
CHEMBL5255	O00206	Toll-like receptor 4	81.75%	92.50%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.17%	96.00%

Plants that contains it

• Euphorbia pereskiifolia

Cross-Links

• PubChem: 11673776
• LOTUS: LTS0081012
• wikiData: Q105189385