D-Tagatose

Details

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Internal ID 01dcc1a6-afed-4a6b-b8de-027ee4ccf2a5
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
IUPAC Name (3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILES (Canonical) C1C(C(C(C(O1)(CO)O)O)O)O
SMILES (Isomeric) C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O
InChI InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1
InChI Key LKDRXBCSQODPBY-OEXCPVAWSA-N
Popularity 884 references in papers

Physical and Chemical Properties

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Molecular Formula C6H12O6
Molecular Weight 180.16 g/mol
Exact Mass 180.06338810 g/mol
Topological Polar Surface Area (TPSA) 110.00 Ų
XlogP -2.80

Synonyms

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D-Tag
D-Tagatopyranose
D-Tagatopyranoside
D-Tagatose
Tag
Tagatopyranose
Tagatopyranoside
Tagatose
lyxo-Hexulose
d-tagatos
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of D-Tagatose

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 97.06% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.71% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.40% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 87.20% 95.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.76% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.02% 97.09%

Plants that contains it

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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.
Pogostemon cablin

Cross-Links

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PubChem 439312
NPASS NPC115255