[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-(3,4-diacetyloxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl acetate

Details

• Internal ID: 87dcbec9-c088-4feb-ae69-40cf671e0937
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: [(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[[(2S)-2-(3,4-diacetyloxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl acetate
• InChI: InChI=1S/C33H34O17/c1-14(34)42-13-28-30(45-17(4)37)31(46-18(5)38)32(47-19(6)39)33(50-28)48-21-10-22(40)29-23(41)12-25(49-27(29)11-21)20-7-8-24(43-15(2)35)26(9-20)44-16(3)36/h7-11,25,28,30-33,40H,12-13H2,1-6H3/t25-,28-,30-,31+,32-,33-/m0/s1
• InChI Key: NJOSVEIEKGHQHF-MBZZGBKXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₃₄O₁₇
• Molecular Weight: 702.60 g/mol
• Exact Mass: 702.17959961 g/mol
• Topological Polar Surface Area (TPSA): 223.00 Ų
• XlogP: 2.20

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	98.14%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.73%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.97%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.66%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.18%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.83%	89.00%
CHEMBL4208	P20618	Proteasome component C5	93.25%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.37%	97.09%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	92.24%	94.80%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.25%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.80%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	89.70%	94.73%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.32%	95.89%
CHEMBL4040	P28482	MAP kinase ERK2	88.35%	83.82%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	88.31%	83.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.52%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.50%	99.17%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.31%	86.92%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.56%	99.23%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	84.61%	92.68%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.57%	99.15%
CHEMBL5255	O00206	Toll-like receptor 4	84.34%	92.50%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	83.60%	95.78%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.49%	96.21%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	80.78%	95.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.17%	95.56%

Plants that contains it

• Pyracantha coccinea

Cross-Links

• PubChem: 163062019
• LOTUS: LTS0060973
• wikiData: Q105180244