Dihydroxyacetone

Details

Top
Internal ID 874ea5e2-7de7-4c1e-9b28-db6731b427d9
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
IUPAC Name 1,3-dihydroxypropan-2-one
SMILES (Canonical) C(C(=O)CO)O
SMILES (Isomeric) C(C(=O)CO)O
InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChI Key RXKJFZQQPQGTFL-UHFFFAOYSA-N
Popularity 5,538 references in papers

Physical and Chemical Properties

Top
Molecular Formula C3H6O3
Molecular Weight 90.08 g/mol
Exact Mass 90.031694049 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP -1.40

Synonyms

Top
Dihydroxyacetone
96-26-4
1,3-Dihydroxypropan-2-one
glycerone
1,3-Dihydroxy-2-propanone
Chromelin
Viticolor
Dihyxal
Oxantin
Oxatone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Dihydroxyacetone

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 86.47% 96.09%

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.
Agave americana
Solanum lycopersicum

Cross-Links

Top
PubChem 670
LOTUS LTS0019462
wikiData Q409618