Myricetin 3-O-galactoside

Details

• Internal ID: 4a6c3600-6a4c-4ad5-9edd-535cab8457ac
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
• IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
• InChI: InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1
• InChI Key: FOHXFLPXBUAOJM-MGMURXEASA-N
• Popularity: 33 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₀O₁₃
• Molecular Weight: 480.40 g/mol
• Exact Mass: 480.09039069 g/mol
• Topological Polar Surface Area (TPSA): 227.00 Ų
• XlogP: 0.00

Synonyms

• 15648-86-9
• Myricetin 3-galactoside
• DM7XK7S5F6
• 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
• DTXSID30166087
• 5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
• 5,7-dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
• 5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
• RefChem:1090080
• DTXCID7088578
• Myricetin 3-O-beta-D-galactopyranoside
• myricetin-3-galactoside
• 4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
• Myricetin3-O-galactoside
• CHEMBL462244
• MEGxp0_000183
• orb1684391
• SCHEMBL2290443
• SCHEMBL29496115
• ACon1_001299
• CHEBI:75815
• myricetin-3-O-beta-D-galactoside
• HY-N3220
• AKOS032948879
• DA-65735
• FM157205
• MS-28930
• Myricetin 3-O-galactoside; Gmelinoside I
• CS-0023623
• BRD-K34010557-001-01-9
• Q27145564
• Myricetin 3-O-beta-D-Galactopyranoside, >=85% (LC/MS-ELSD)
• 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl beta-D-galactopyranoside
• 3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
• 5,7-Dihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
• 5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

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	99.73%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.54%	89.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	96.15%	95.64%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.25%	94.00%
CHEMBL2581	P07339	Cathepsin D	93.15%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	91.26%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.98%	99.17%
CHEMBL3194	P02766	Transthyretin	90.79%	90.71%
CHEMBL2424	Q04760	Glyoxalase I	88.16%	91.67%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.09%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.04%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.22%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.21%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.09%	97.09%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	81.48%	80.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.41%	94.45%

Plants that contains it

• Acacia adunca
• Acacia latifolia
• Aconitum heterophylloides
• Adiantum philippense
• Angelica lucida
• Annona cornifolia
• Artemisia campestris subsp. variabilis
• Astragalus cibarius
• Astragalus sempervirens
• Austrocedrus chilensis
• Betula pendula
• Betula pubescens
• Brocchia cinerea
• Calostephane divaricata
• Camellia sinensis
• Caragana aurantiaca
• Castanea sativa
• Catha edulis
• Daphniphyllum paxianum
• Dioscorea bulbifera
• Dumortiera hirsuta
• Echeveria secunda
• Epilobium hirsutum
• Eucalyptus melliodora
• Fagopyrum megacarpum
• Gnetum latifolium
• Goniothalamus malayanus
• Guiera senegalensis
• Hedysarum inundatum
• Hylotelephium telephium
• Hymenoxys insignis
• Hypericum laricifolium
• Hypericum richeri
• Ipomoea digitata
• Juglans mandshurica
• Kunzea ambigua
• Lepisorus ussuriensis
• Lespedeza bicolor
• Limonium aureum
• Limonium sinense
• Lysimachia mauritiana
• Marrubium anisodon
• Mimusops caffra
• Naucleopsis ternstroemiiflora
• Nelumbo nucifera
• Neonauclea sessilifolia
• Nerine bowdenii
• Nothofagus antarctica
• Nymphaea odorata
• Ocotea pittieri
• Pastinaca sativa
• Peltostigma guatemalense
• Pimenta dioica
• Premna odorata
• Pseudocydonia sinensis
• Rauvolfia vomitoria
• Rhodanthe chlorocephala subsp. rosea
• Rhoiptelea chiliantha
• Rumex maritimus
• Salvia syriaca
• Saxifraga tricuspidata
• Scutellaria amoena
• Sesbania bispinosa
• Solanum laxum
• Solidago serotina
• Sorbaria sorbifolia
• Strophanthus kombe
• Swertia franchetiana
• Trifolium pannonicum
• Vaccinium oxycoccos
• Vasconcellea cauliflora
• Veratrum dahuricum
• Veronica arvensis
• Viguiera incana
• Vitis vinifera
• Warburgia ugandensis
• Wikstroemia retusa
• Zanthoxylum tetraspermum

Cross-Links

• PubChem: 5491408
• NPASS: NPC19388
• ChEMBL: CHEMBL462244
• LOTUS: LTS0041293
• wikiData: Q27145564