PlantaeDB Logo
Login Sign-up

O-alpha-D-Mannopyranosyl-(1->3)-O-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranose

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 88f8c09e-3f83-4f83-859b-a76ff03d0c21
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H32O16/c19-1-4-8(23)11(26)15(16(29)30-4)34-18-13(28)14(9(24)6(3-21)32-18)33-17-12(27)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
InChI Key LHAOFBCHXGZGOR-NAVBLJQLSA-N
Popularity 65 references in papers

Physical and Chemical Properties

Top
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

Top
CHEBI:64167
alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man
alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp
alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->2)-alpha-D-mannose
alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranose
6817-81-8
Epitope ID:164176
Q27133089
(2S,3S,4S,5S,6R)-3-(((2R,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol

2D Structure

Top
2D Structure of O-alpha-D-Mannopyranosyl-(1->3)-O-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranose

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 93.23% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 88.23% 95.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.55% 96.09%
CHEMBL3589 P55263 Adenosine kinase 85.92% 98.05%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.05% 86.92%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 56927890
LOTUS LTS0057129
wikiData Q27133089