Kenposide A

Details

• Internal ID: 50601027-ea82-4407-a1e8-6b3dd75b6038
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
• SMILES (Canonical): CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O)/C)C
• InChI: InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1
• InChI Key: IEGFOTASSBZIBZ-WRRPXPPESA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₃₆O₁₀
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.23084734 g/mol
• Topological Polar Surface Area (TPSA): 158.00 Ų
• XlogP: -0.80

Synonyms

• 152520-94-0
• SCHEMBL4276804
• AKOS040752250
• geranyl 6-O-alpha-l-arabino pyranosyl-beta-d-glucopyranoside

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.70%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.34%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.68%	97.25%
CHEMBL3401	O75469	Pregnane X receptor	90.47%	94.73%
CHEMBL2581	P07339	Cathepsin D	85.78%	98.95%
CHEMBL5957	P21589	5'-nucleotidase	85.26%	97.78%
CHEMBL226	P30542	Adenosine A1 receptor	84.57%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.48%	97.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	83.44%	92.08%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	81.42%	80.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.34%	85.14%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.07%	95.50%

Plants that contains it

• Rhodiola chrysanthemifolia subsp. sacra
• Rhodiola crenulata
• Rhodiola rosea

Cross-Links

• PubChem: 10253091
• LOTUS: LTS0068506
• wikiData: Q105111755