Galactostatin

Details

Top
Internal ID aa781774-67c9-4fba-adea-f3bdb1bed3c4
Taxonomy Organoheterocyclic compounds > Piperidines
IUPAC Name (3R,4S,5S,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
SMILES (Canonical) C(C1C(C(C(C(N1)O)O)O)O)O
SMILES (Isomeric) C([C@@H]1[C@@H]([C@@H]([C@H](C(N1)O)O)O)O)O
InChI InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChI Key BGMYHTUCJVZIRP-SVZMEOIVSA-N
Popularity 18 references in papers

Physical and Chemical Properties

Top
Molecular Formula C6H13NO5
Molecular Weight 179.17 g/mol
Exact Mass 179.07937252 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP -2.90

Synonyms

Top
107537-94-0
(3R,4S,5S,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
5-Amino-5-deoxygalactopyranose
RefChem:142138
QL2SCH744D
5-Galactosamine
6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
Galactonojirimycin
orb3024890
SCHEMBL24518012
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Galactostatin

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 92.37% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.01% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.10% 97.25%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.08% 91.71%

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 3035939
LOTUS LTS0182849
wikiData Q82893220