Kiwiionoside

Details

• Internal ID: ad5d27f1-3187-4941-b21b-d9c134d38071
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
• IUPAC Name: 2-[3,4-dihydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): CC(C=CC1(C(CC(CC1(C)O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O)O
• SMILES (Isomeric): CC(/C=C/C1(C(CC(CC1(C)O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O)O
• InChI: InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+
• InChI Key: SGUOENJPMRQEMJ-AATRIKPKSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₄O₉
• Molecular Weight: 406.50 g/mol
• Exact Mass: 406.22028266 g/mol
• Topological Polar Surface Area (TPSA): 160.00 Ų
• XlogP: -1.50

Synonyms

• Stratioside II
• SCHEMBL24482492
• CHEBI:168221
• 2-[3,4-dihydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)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	97.46%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.95%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.74%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.17%	85.14%
CHEMBL226	P30542	Adenosine A1 receptor	89.14%	95.93%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	87.85%	92.86%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	86.90%	96.47%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.70%	97.09%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	86.32%	92.32%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.44%	96.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.29%	95.89%
CHEMBL2581	P07339	Cathepsin D	83.21%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.16%	94.45%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	81.97%	93.10%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.68%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.86%	95.89%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.77%	96.21%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.58%	91.24%

Plants that contains it

• Actinidia chinensis
• Pistia stratiotes
• Rhododendron latoucheae

Cross-Links

• PubChem: 131752431
• LOTUS: LTS0256618
• wikiData: Q105252642