[(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Details

• Internal ID: c89a6ecb-81f1-4ff4-b2b6-09af2858622e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
• IUPAC Name: [(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C18H22O8/c1-10-15(21)16(17(18(22)24-10)25-11(2)19)26-14(20)9-6-12-4-7-13(23-3)8-5-12/h4-10,15-18,21-22H,1-3H3/b9-6+/t10-,15-,16+,17+,18+/m0/s1
• InChI Key: IYUGFXZFXCANKO-JPTGQVTKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₂O₈
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.13146766 g/mol
• Topological Polar Surface Area (TPSA): 112.00 Ų
• XlogP: 1.10

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.04%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.44%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.79%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.46%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.98%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	89.45%	91.49%
CHEMBL4208	P20618	Proteasome component C5	88.47%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.71%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.61%	89.00%
CHEMBL221	P23219	Cyclooxygenase-1	82.54%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	82.26%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.02%	95.89%

Plants that contains it

• Scrophularia buergeriana

Cross-Links

• PubChem: 10361522
• LOTUS: LTS0047548
• wikiData: Q105122987