4-Methoxybenzyl beta-D-glucopyranoside

Details

• Internal ID: 3e2749ad-b00b-477b-9fab-56b04c31579c
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]oxane-3,4,5-triol
• SMILES (Canonical): COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
• SMILES (Isomeric): COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• InChI: InChI=1S/C14H20O7/c1-19-9-4-2-8(3-5-9)7-20-14-13(18)12(17)11(16)10(6-15)21-14/h2-5,10-18H,6-7H2,1H3/t10-,11-,12+,13-,14-/m1/s1
• InChI Key: GRBSGJQPRONUPW-RKQHYHRCSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀O₇
• Molecular Weight: 300.30 g/mol
• Exact Mass: 300.12090297 g/mol
• Topological Polar Surface Area (TPSA): 109.00 Ų
• XlogP: -0.70

Synonyms

• 81381-72-8
• (4-Methoxyphenyl)methylbeta-D-glucopyranoside
• SCHEMBL5787376
• DTXSID801261572
• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-methoxyphenyl)methoxy]oxane-3,4,5-triol

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.40%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.61%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.31%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.13%	94.00%
CHEMBL2581	P07339	Cathepsin D	88.46%	98.95%
CHEMBL4208	P20618	Proteasome component C5	87.32%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.70%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.72%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.14%	95.56%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.62%	86.92%
CHEMBL3401	O75469	Pregnane X receptor	84.11%	94.73%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.59%	95.50%
CHEMBL3714130	P46095	G-protein coupled receptor 6	83.33%	97.36%
CHEMBL226	P30542	Adenosine A1 receptor	82.47%	95.93%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.55%	95.89%

Plants that contains it

• Cucurbita pepo
• Foeniculum vulgare
• Saussurea medusa

Cross-Links

• PubChem: 10685601
• LOTUS: LTS0178847
• wikiData: Q105015713