[6-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate

Details

• Internal ID: 5ff83427-975e-4597-9380-7b1d890ccc62
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
• IUPAC Name: [6-[[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
• InChI: InChI=1S/C42H46O21/c1-16-28(48)31(51)33(53)41(57-16)63-39-35(55)40(58-17(2)36(39)61-26(47)12-5-18-3-8-20(43)9-4-18)56-15-25-29(49)32(52)34(54)42(60-25)62-38-30(50)27-23(46)13-22(45)14-24(27)59-37(38)19-6-10-21(44)11-7-19/h3-14,16-17,25,28-29,31-36,39-46,48-49,51-55H,15H2,1-2H3
• InChI Key: QUIFLOHEQCSIKG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₄₆O₂₁
• Molecular Weight: 886.80 g/mol
• Exact Mass: 886.25315847 g/mol
• Topological Polar Surface Area (TPSA): 331.00 Ų
• XlogP: 0.30

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	99.65%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	99.05%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	98.16%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	98.07%	91.49%
CHEMBL2581	P07339	Cathepsin D	96.88%	98.95%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	95.16%	95.64%
CHEMBL3194	P02766	Transthyretin	93.50%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	92.82%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.30%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.60%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.39%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.16%	96.09%
CHEMBL242	Q92731	Estrogen receptor beta	88.69%	98.35%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.23%	94.00%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	82.50%	95.78%
CHEMBL3714130	P46095	G-protein coupled receptor 6	82.21%	97.36%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.60%	91.71%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.45%	95.89%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.40%	95.50%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	80.77%	94.80%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.54%	94.45%
CHEMBL4208	P20618	Proteasome component C5	80.52%	90.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.33%	86.92%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	80.24%	80.78%

Plants that contains it

• Dicranopteris linearis

Cross-Links

• PubChem: 74978046
• LOTUS: LTS0079373
• wikiData: Q105228196