Glucodistylin

Details

• Internal ID: c12653c3-6eed-4e67-8701-51ea335e7ab7
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
• InChI: InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2
• InChI Key: FVQOMEDMFUMIMO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₁₂
• Molecular Weight: 466.40 g/mol
• Exact Mass: 466.11112613 g/mol
• Topological Polar Surface Area (TPSA): 207.00 Ų
• XlogP: -0.10

Synonyms

• CHEBI:177943
• 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-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	99.66%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.86%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.66%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.00%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.78%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.17%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	89.88%	94.73%
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.73%	97.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.52%	86.92%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.45%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.35%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.89%	99.17%
CHEMBL3194	P02766	Transthyretin	84.14%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.98%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.78%	94.00%
CHEMBL4208	P20618	Proteasome component C5	82.52%	90.00%

Plants that contains it

• Fagus sylvatica
• Hibiscus mutabilis
• Mangifera indica
• Quercus acutissima
• Quercus mongolica
• Rhododendron luteum
• Taxillus kaempferi
• Trachelospermum jasminoides

Cross-Links

• PubChem: 14187088
• LOTUS: LTS0053474
• wikiData: Q105002707