Planteose

Details

• Internal ID: e782b795-ef49-4649-ad3b-b177bc34460e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-10(24)15(29)18(4-21,33-7)34-17-14(28)12(26)9(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
• InChI Key: NIBVDXPSJBYJFT-ZQSKZDJDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₁₆
• Molecular Weight: 504.40 g/mol
• Exact Mass: 504.16903493 g/mol
• Topological Polar Surface Area (TPSA): 269.00 Ų
• XlogP: -5.80

Synonyms

• 470-57-5
• UNII-50Z20GQP23
• 50Z20GQP23
• 6F-alpha-D-Galactosylsucrose
• 6(F)-alpha-D-galactosylsucrose
• alpha-D-Glucopyranoside, o-alpha-D-galactopyranosyl-(1->6)-beta-D-fructofuranosyl
• Glucopyranoside, o-alpha-D-galactopyranosyl-(1->6)-beta-D-fructofuranosyl, alpha-D-
• alpha-D-galactopyranosyl-(1->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside
• SCHEMBL14935969
• CHEBI:17332
• DTXSID90331471
• C03848
• Q27102324
• .ALPHA.-D-GLUCOPYRANOSIDE, O-.ALPHA.-D-GALACTOPYRANOSYL-(1->6)-.BETA.-D-FRUCTOFURANOSYL
• GLUCOPYRANOSIDE, O-.ALPHA.-D-GALACTOPYRANOSYL-(1->6)-.BETA.-D-FRUCTOFURANOSYL, .ALPHA.-D-
• WURCS=2.0/3,3,2/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3/a1-b2_b6-c1

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	97.24%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	90.92%	95.93%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.33%	86.92%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.92%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	87.49%	94.73%
CHEMBL2094128	P24941	Cyclin-dependent kinase 2/cyclin A	87.09%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.93%	97.09%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.38%	96.61%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.76%	95.50%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.07%	95.83%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.03%	94.00%

Plants that contains it

• Sesamum indicum

Cross-Links

• PubChem: 440140
• LOTUS: LTS0059626
• wikiData: Q27102324