Luteolin-7-O-galactoside

Details

• Internal ID: db248779-76e9-412b-a8d9-9a5968a81018
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O
• InChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1
• InChI Key: PEFNSGRTCBGNAN-OBJCFNGXSA-N
• Popularity: 1 reference 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 7-galactoside
• luteolin-7-o-beta-d-galactopyranoside
• 54985-16-9
• 2-(3,4-Dihydroxyphenyl)-7-(beta-D-galactopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
• 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-galactopyranosyloxy)-5-hydroxy-
• 68321-11-9
• DTXSID001318842
• FT-0628049

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL5880	P60568	Interleukin-2	20 nM	Kd	via Super-PRED
CHEMBL1825	P01375	TNF-alpha	790 nM	Kd	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.63%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.48%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.15%	99.15%
CHEMBL2581	P07339	Cathepsin D	94.74%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.63%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.06%	94.00%
CHEMBL3194	P02766	Transthyretin	91.20%	90.71%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	91.16%	86.92%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.56%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	89.09%	94.73%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	86.65%	95.78%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.98%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.53%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.37%	85.14%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	84.30%	96.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.81%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.33%	99.17%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.74%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.10%	95.89%

Plants that contains it

• Asplenium normale
• Brucea javanica
• Bryum pseudotriquetrum
• Caragana alaica
• Carduus nutans
• Carpobrotus edulis
• Castanea crenata
• Centrolobium tomentosum
• Ceratophyllum submersum
• Dracocephalum kotschyi
• Glycyrrhiza glabra
• Lippia carviodora
• Myrica nana
• Onopordum laconicum
• Passiflora sanguinolenta
• Psilostrophe cooperi
• Sideritis tragoriganum
• Solanum jamaicense
• Symphyotrichum eatonii
• Trifolium alexandrinum
• Verbena officinalis

Cross-Links

• PubChem: 5488493
• NPASS: NPC115334
• LOTUS: LTS0069837
• wikiData: Q104247007