Kankanoside E

Details

• Internal ID: bc5f4fe9-ad26-4fd7-ba60-0dea27b58091
• Taxonomy: Lipids and lipid-like molecules > Saccharolipids
• IUPAC Name: (E,6R)-2,6-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoic acid
• InChI: InChI=1S/C16H28O8/c1-9(4-3-5-10(2)15(21)22)6-7-23-16-14(20)13(19)12(18)11(8-17)24-16/h5,9,11-14,16-20H,3-4,6-8H2,1-2H3,(H,21,22)/b10-5+/t9-,11-,12-,13+,14-,16-/m1/s1
• InChI Key: FOXBWGQSBSJEOT-FHMJDAQXSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₈O₈
• Molecular Weight: 348.39 g/mol
• Exact Mass: 348.17841785 g/mol
• Topological Polar Surface Area (TPSA): 137.00 Ų
• XlogP: 0.30

Synonyms

• 906080-70-4
• AKOS040734115
• (E,6R)-2,6-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoic acid

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	93.11%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.50%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.12%	91.11%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	91.18%	96.47%
CHEMBL3401	O75469	Pregnane X receptor	90.26%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.23%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.56%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.17%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.64%	93.56%
CHEMBL5255	O00206	Toll-like receptor 4	80.79%	92.50%
CHEMBL218	P21554	Cannabinoid CB1 receptor	80.19%	96.61%
CHEMBL340	P08684	Cytochrome P450 3A4	80.05%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11653163
• LOTUS: LTS0235331
• wikiData: Q104999012