[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Details

• Internal ID: dc4ec9a2-a020-4c12-ac82-2e796f3252a5
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChI: InChI=1S/C31H30O13/c1-40-23-10-16(5-8-19(23)33)22-13-21(35)27-20(34)11-18(12-24(27)43-22)42-31-30(39)29(38)28(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-12,22,25,28-34,37-39H,13-14H2,1H3/b9-4+/t22-,25+,28+,29-,30+,31+/m0/s1
• InChI Key: ILNUGRUNTDKIIP-AZANNLPDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₃₀O₁₃
• Molecular Weight: 610.60 g/mol
• Exact Mass: 610.16864101 g/mol
• Topological Polar Surface Area (TPSA): 202.00 Ų
• XlogP: 2.30

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	99.67%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.73%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.03%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.53%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.97%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.89%	85.14%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.24%	96.00%
CHEMBL4208	P20618	Proteasome component C5	93.06%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.93%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.16%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.80%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.60%	95.89%
CHEMBL3194	P02766	Transthyretin	90.39%	90.71%
CHEMBL2581	P07339	Cathepsin D	89.77%	98.95%
CHEMBL3438	Q05513	Protein kinase C zeta	84.90%	88.48%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.72%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.45%	99.15%
CHEMBL5255	O00206	Toll-like receptor 4	83.83%	92.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.28%	99.23%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	83.27%	97.03%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.19%	89.62%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.95%	86.92%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	82.52%	94.80%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.28%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	81.70%	94.73%
CHEMBL2535	P11166	Glucose transporter	80.42%	98.75%

Plants that contains it

• Phlomis floccosa

Cross-Links

• PubChem: 163190331
• LOTUS: LTS0129355
• wikiData: Q105115336