6-Deoxyglucose

Details

• Internal ID: 3455d8ca-05bc-4629-89ce-2d3baad27166
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal
• SMILES (Canonical): CC(C(C(C(C=O)O)O)O)O
• SMILES (Isomeric): C[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O
• InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5-,6-/m1/s1
• InChI Key: PNNNRSAQSRJVSB-JGWLITMVSA-N
• Popularity: 628 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₅
• Molecular Weight: 164.16 g/mol
• Exact Mass: 164.06847348 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: -2.40

Synonyms

• 7658-08-4
• (2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal
• O654621E3T
• 3615-41-6
• chinovose
• Epifucose
• D-Isorhamnose
• aldehydo-D-quinovose
• D-EPIRHAMNOSE
• QUINOVOSE [MI]
• 6DOG
• SCHEMBL59278
• UNII-O654621E3T
• PNNNRSAQSRJVSB-JGWLITMVSA-N
• DTXSID701032788
• AMY41560
• STR01510
• EINECS 231-622-2
• AKOS027446289
• (3R,4S,5S)-3,4,5-trihydroxy-2-oxohexanal
• Q3414551

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3492	P49721	Proteasome Macropain subunit	87.69%	90.24%
CHEMBL2581	P07339	Cathepsin D	86.93%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.74%	96.09%
CHEMBL4208	P20618	Proteasome component C5	83.05%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.36%	95.56%

Plants that contains it

• Medicago sativa
• Pogostemon cablin
• Siphoneugena densiflora

Cross-Links

• PubChem: 93579
• LOTUS: LTS0153397
• wikiData: Q3414551