d-Gala-l-ido-octonic amide

Details

• Internal ID: 8ccce229-9dc8-4d97-87e4-fa5212481519
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Octoses
• IUPAC Name: 2,3,4,5,6,7,8-heptahydroxyoctanamide
• SMILES (Canonical): C(C(C(C(C(C(C(C(=O)N)O)O)O)O)O)O)O
• SMILES (Isomeric): C(C(C(C(C(C(C(C(=O)N)O)O)O)O)O)O)O
• InChI: InChI=1S/C8H17NO8/c9-8(17)7(16)6(15)5(14)4(13)3(12)2(11)1-10/h2-7,10-16H,1H2,(H2,9,17)
• InChI Key: JUCFNBKGLVDIFE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₇NO₈
• Molecular Weight: 255.22 g/mol
• Exact Mass: 255.09541650 g/mol
• Topological Polar Surface Area (TPSA): 185.00 Ų
• XlogP: -5.30

Synonyms

• JUCFNBKGLVDIFE-UHFFFAOYSA-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	93.94%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.25%	96.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.56%	97.29%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.03%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.26%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.14%	91.11%

Plants that contains it

• Podophyllum hexandrum

Cross-Links

• PubChem: 552061
• NPASS: NPC135321
• LOTUS: LTS0179530
• wikiData: Q105135143