Xylaroside B

Details

• Internal ID: 8ea430f9-a4d2-4c02-9589-4d0592628026
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-3-propylphenoxy]oxane-3,4,5-triol
• SMILES (Canonical): CCCC1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)CO
• SMILES (Isomeric): CCCC1=C(C(=CC=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO
• InChI: InChI=1S/C16H24O7/c1-2-4-9-5-3-6-11(10(9)7-17)22-16-15(21)14(20)13(19)12(8-18)23-16/h3,5-6,12-21H,2,4,7-8H2,1H3/t12-,13-,14+,15-,16+/m1/s1
• InChI Key: XOJDXWQXVJUJLQ-LJIZCISZSA-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: 0.10

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	95.59%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.25%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.51%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	92.14%	95.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.83%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	89.00%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.20%	97.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.72%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.64%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.46%	94.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.35%	92.62%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.34%	96.61%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.21%	95.56%

Plants that contains it

• Garcinia dulcis

Cross-Links

• PubChem: 24970522
• LOTUS: LTS0165271
• wikiData: Q105337765