[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

Details

• Internal ID: ce19f37d-5e4d-4e3b-99f4-6dbad6c1512c
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
• InChI: InChI=1S/C28H28O11/c1-36-22-12-17(6-9-21(22)31)27(35)37-14-23-24(32)25(33)26(34)28(39-23)38-20-11-16(10-19(30)13-20)3-2-15-4-7-18(29)8-5-15/h2-13,23-26,28-34H,14H2,1H3/t23-,24-,25+,26-,28-/m1/s1
• InChI Key: JFCVAWLHDBBPMF-JBMSBTKCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₂₈O₁₁
• Molecular Weight: 540.50 g/mol
• Exact Mass: 540.16316171 g/mol
• Topological Polar Surface Area (TPSA): 175.00 Ų
• XlogP: 2.60

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	98.53%	91.11%
CHEMBL3194	P02766	Transthyretin	97.31%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.83%	96.00%
CHEMBL2179	P04062	Beta-glucocerebrosidase	94.84%	85.31%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.50%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.28%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.02%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.07%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	90.71%	94.73%
CHEMBL4208	P20618	Proteasome component C5	89.53%	90.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.03%	89.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.64%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.85%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.76%	95.89%
CHEMBL2535	P11166	Glucose transporter	82.54%	98.75%
CHEMBL5255	O00206	Toll-like receptor 4	81.38%	92.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.04%	96.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.17%	90.71%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.14%	94.33%

Plants that contains it

• Lysidice brevicalyx

Cross-Links

• PubChem: 162976482
• LOTUS: LTS0176907
• wikiData: Q105126602