Trehazolin

Details

• Internal ID: d9e77337-2451-4089-b7ad-7f0bedd32a33
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines
• IUPAC Name: (3aR,4R,5S,6S,6aS)-4-(hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
• InChI: InChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
• InChI Key: NRKVPNOUINUNKY-UXTOMXPUSA-N
• Popularity: 24 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₂N₂O₁₀
• Molecular Weight: 366.32 g/mol
• Exact Mass: 366.12744490 g/mol
• Topological Polar Surface Area (TPSA): 205.00 Ų
• XlogP: -4.80

Synonyms

There are no found synonyms.

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	88.59%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.32%	91.11%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.85%	93.10%
CHEMBL226	P30542	Adenosine A1 receptor	84.91%	95.93%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.57%	96.21%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	81.53%	96.90%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 3081797
• LOTUS: LTS0219197
• wikiData: Q82902462