Luteolin 4'-glucoside

Details

• Internal ID: e922717d-9b90-4361-aad5-131e967ea64f
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides
• IUPAC Name: 5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• SMILES (Canonical): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
• InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2
• InChI Key: UHNXUSWGOJMEFO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₀O₁₁
• Molecular Weight: 448.40 g/mol
• Exact Mass: 448.10056145 g/mol
• Topological Polar Surface Area (TPSA): 186.00 Ų
• XlogP: 0.50

Synonyms

• Luteolin 4'-glucoside
• 6920-38-3
• 5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• Juncein?
• Luteolin 4'-O-beta-glucoside
• SCHEMBL21130708
• (-)-Luteolin 4'-O-beta-glucoside
• FT-0630356

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	98.30%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.26%	89.00%
CHEMBL3194	P02766	Transthyretin	95.69%	90.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.59%	94.00%
CHEMBL2581	P07339	Cathepsin D	95.57%	98.95%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	94.59%	83.57%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	93.11%	95.78%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	92.10%	86.92%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	89.01%	96.21%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.65%	99.15%
CHEMBL1951	P21397	Monoamine oxidase A	88.36%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.87%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.30%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	86.41%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.61%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.52%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.15%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.79%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.36%	90.71%

Plants that contains it

• Achillea roseo-alba
• Artemisia judaica
• Bauhinia tarapotensis
• Campanula persicifolia
• Centaurea deflexa
• Cirsium heterophyllum
• Gamochaeta malvinensis
• Genista corsica
• Kummerowia striata
• Lathyrus pratensis
• Meehania urticifolia
• Picris hieracioides
• Punica granatum
• Salix babylonica
• Saussurea medusa
• Serratula coronata
• Vernoniopsis caudata
• Vicia subvillosa

Cross-Links

• PubChem: 12304737
• LOTUS: LTS0041157
• wikiData: Q105273005