7-Deoxy-D-altro-2-heptulose

Details

• Internal ID: b79d5912-ff6d-4575-b028-b96fa50b3ea0
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Heptoses
• IUPAC Name: (3S,4R,5R,6R)-1,3,4,5,6-pentahydroxyheptan-2-one
• SMILES (Canonical): CC(C(C(C(C(=O)CO)O)O)O)O
• SMILES (Isomeric): C[C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
• InChI: InChI=1S/C7H14O6/c1-3(9)5(11)7(13)6(12)4(10)2-8/h3,5-9,11-13H,2H2,1H3/t3-,5-,6-,7-/m1/s1
• InChI Key: NJSUAAJHYPEVBZ-SHUUEZRQSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄O₆
• Molecular Weight: 194.18 g/mol
• Exact Mass: 194.07903816 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: -2.80

Synonyms

• SF-666B
• Y1IF0IR3BJ
• EINECS 249-898-8
• UNII-Y1IF0IR3BJ
• 7-DEOXY-D-SEDOHEPTULOSE
• DTXSID90183977
• D-ALTRO-2-HEPTULOSE, 7-DEOXY-
• RefChem:106011
• DTXCID30106468
• 29864-54-8
• (3S,4R,5R,6R)-1,3,4,5,6-pentahydroxyheptan-2-one
• 7-Desoxy-Sedoheptulose
• 7-Deoxy-D-altro-hept-2-ulose
• SCHEMBL17866821
• NJSUAAJHYPEVBZ-SHUUEZRQSA-N

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.18%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.24%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.98%	85.14%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.73%	97.29%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.14%	100.00%
CHEMBL2094135	Q96BI3	Gamma-secretase	80.16%	98.05%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 56841647
• LOTUS: LTS0056715
• wikiData: Q61743634