(2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-7-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: e2e1537e-71ed-456b-9526-21e224e9f0e4
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1R,2R,4S,5R,6R,10S)-5,6-dihydroxy-7-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C15H22O10/c1-4-3-22-13(6-10-11(24-10)12(20)15(4,6)21)25-14-9(19)8(18)7(17)5(2-16)23-14/h3,5-14,16-21H,2H2,1H3/t5-,6+,7-,8+,9-,10-,11-,12-,13+,14+,15+/m1/s1
• InChI Key: RTVGHDMOWLNNHR-QBYLGFETSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₁₀
• Molecular Weight: 362.33 g/mol
• Exact Mass: 362.12129689 g/mol
• Topological Polar Surface Area (TPSA): 162.00 Ų
• XlogP: -3.50

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.66%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.58%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	87.01%	94.73%
CHEMBL4040	P28482	MAP kinase ERK2	84.11%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.86%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.14%	94.00%
CHEMBL2581	P07339	Cathepsin D	82.52%	98.95%
CHEMBL4208	P20618	Proteasome component C5	81.48%	90.00%
CHEMBL3714130	P46095	G-protein coupled receptor 6	80.52%	97.36%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.36%	97.09%

Plants that contains it

• Deutzia scabra

Cross-Links

• PubChem: 101006016
• LOTUS: LTS0098338
• wikiData: Q104395888