(2S,3R,4S,5S,6R)-2-(3,9-dihydroxy-2-methoxydibenzofuran-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: 1d601c90-d091-47d7-a16c-79b2cab737df
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: (2S,3R,4S,5S,6R)-2-(3,9-dihydroxy-2-methoxydibenzofuran-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): COC1=C(C(=C2C(=C1)C3=C(C=CC=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)O
• SMILES (Isomeric): COC1=C(C(=C2C(=C1)C3=C(C=CC=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
• InChI: InChI=1S/C19H20O10/c1-26-10-5-7-12-8(21)3-2-4-9(12)27-17(7)18(14(10)23)29-19-16(25)15(24)13(22)11(6-20)28-19/h2-5,11,13,15-16,19-25H,6H2,1H3/t11-,13-,15+,16-,19+/m1/s1
• InChI Key: AEVPZPZLCJZOJP-REYOYVKASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₁₀
• Molecular Weight: 408.40 g/mol
• Exact Mass: 408.10564683 g/mol
• Topological Polar Surface Area (TPSA): 162.00 Ų
• XlogP: 0.80

Synonyms

There are no found synonyms.

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	99.59%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.15%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.13%	89.00%
CHEMBL2581	P07339	Cathepsin D	92.76%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.18%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.09%	96.09%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	90.47%	94.03%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.69%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.66%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.09%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	87.62%	94.73%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	87.14%	92.62%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.52%	89.62%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.31%	96.00%
CHEMBL2535	P11166	Glucose transporter	85.24%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.52%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.43%	92.94%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.08%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.56%	99.15%

Plants that contains it

• Pyracantha crenulata

Cross-Links

• PubChem: 24864267
• LOTUS: LTS0125010
• wikiData: Q104910652