6-Deoxyaltritol

Details

Top
Internal ID f9a1f997-a61d-4aff-a266-9ee2f644075f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
IUPAC Name (2R,3S,4R,5R)-hexane-1,2,3,4,5-pentol
SMILES (Canonical) CC(C(C(C(CO)O)O)O)O
SMILES (Isomeric) C[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
InChI InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChI Key SKCKOFZKJLZSFA-KAZBKCHUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C6H14O5
Molecular Weight 166.17 g/mol
Exact Mass 166.08412354 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP -2.00

Synonyms

Top
6-Deoxy-D-altritol
51607-21-7
D-Altritol, 6-deoxy-
1-deoxy D-talitol
SCHEMBL3122064
DTXSID30199557
SKCKOFZKJLZSFA-KAZBKCHUSA-N

2D Structure

Top
2D Structure of 6-Deoxyaltritol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.66% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 91.47% 83.82%
CHEMBL2581 P07339 Cathepsin D 87.32% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 87.13% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.82% 97.29%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.76% 97.25%

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 6452477
LOTUS LTS0065500
wikiData Q83072459