2-(Hydroxymethyl)-6-(3-hydroxy-1-phenylbutan-2-yl)oxyoxane-3,4,5-triol

Details

• Internal ID: 3a1197db-6358-40c5-aa40-b9be4ea4a9d8
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 2-(hydroxymethyl)-6-(3-hydroxy-1-phenylbutan-2-yl)oxyoxane-3,4,5-triol
• InChI: InChI=1S/C16H24O7/c1-9(18)11(7-10-5-3-2-4-6-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h2-6,9,11-21H,7-8H2,1H3
• InChI Key: VKBNJRWDIJNRML-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄O₇
• Molecular Weight: 328.36 g/mol
• Exact Mass: 328.15220310 g/mol
• Topological Polar Surface Area (TPSA): 120.00 Ų
• XlogP: -0.40

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
CHEMBL2581	P07339	Cathepsin D	98.42%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.08%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.10%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.95%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	90.56%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.43%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.64%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	83.56%	94.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.55%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.56%	95.50%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.18%	95.89%
CHEMBL2959	Q08881	Tyrosine-protein kinase ITK/TSK	81.44%	95.00%

Plants that contains it

• Helichrysum arenarium

Cross-Links

• PubChem: 74950381
• LOTUS: LTS0216850
• wikiData: Q105287649