Peltatoside

Details

• Internal ID: b63d1aff-ccd0-4f61-8559-cbc395b67add
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1
• InChI Key: YNMFDPCLPIMRFD-KSPKLRDJSA-N
• Popularity: 13 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₂₈O₁₆
• Molecular Weight: 596.50 g/mol
• Exact Mass: 596.13773480 g/mol
• Topological Polar Surface Area (TPSA): 266.00 Ų
• XlogP: -1.70

Synonyms

• 23284-18-6
• Quercetin-3-O-arabinoglucoside
• Quercetin-3-arabinoglucoside
• 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• MFCD00017654
• 3-Arabinoglucosylquercetin
• EINECS 245-555-1
• Quercetin 3-arabinoglucoside
• 3-((6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
• SCHEMBL3635414
• DTXSID90945976
• BDBM496919
• 3-(6-O-(alpha-L-Arabinopyranosyl)-beta-D-glucopyranosyl) quercetin
• cmdc.202100576, 12c
• AKOS027383187
• FS-6822
• Q63396313
• 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
• 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-pentopyranosylhexopyranoside

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	99.76%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.23%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.91%	89.00%
CHEMBL2581	P07339	Cathepsin D	96.29%	98.95%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	94.10%	95.64%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.98%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.17%	94.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.43%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.10%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.94%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.49%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	88.68%	94.73%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	87.68%	80.33%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	85.23%	95.78%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.90%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.15%	99.17%
CHEMBL4208	P20618	Proteasome component C5	83.19%	90.00%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	82.59%	95.53%
CHEMBL3194	P02766	Transthyretin	82.59%	90.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.27%	90.71%

Plants that contains it

• Calluna vulgaris
• Corydalis bungeana
• Vicia sativa subsp. nigra

Cross-Links

• PubChem: 5484066
• LOTUS: LTS0132528
• wikiData: Q63396313