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CHEBI:88327 - dafadine A

ChEBI IDCHEBI:88327
ChEBI Namedafadine A
Stars
DefinitionAn N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.
Last Modified26 October 2021
SubmitterSteve
DownloadsMolfile
FormulaC23H25N3O3
Net Charge0
Average Mass391.471
Monoisotopic Mass391.18959
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCC(c3ccncc3)CC2)no1
InChIInChI=1S/C23H25N3O3/c1-16-4-3-5-17(2)22(16)28-15-20-14-21(25-29-20)23(27)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3
InChIKeyWNSNPYIHDMIFOO-UHFFFAOYSA-N
Roles Classification
Biological Role:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
dafadine A (CHEBI:88327) has role geroprotector (CHEBI:176497)
dafadine A (CHEBI:88327) has role P450 inhibitor (CHEBI:50183)
dafadine A (CHEBI:88327) is a N-acylpiperidine (CHEBI:48591)
dafadine A (CHEBI:88327) is a aromatic amide (CHEBI:62733)
dafadine A (CHEBI:88327) is a aromatic ether (CHEBI:35618)
dafadine A (CHEBI:88327) is a isoxazoles (CHEBI:55373)
dafadine A (CHEBI:88327) is a pyridines (CHEBI:26421)
IUPAC Name 
{5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone
Manual XrefsDatabases
22141101ChemSpider
Registry NumbersSources
Reaxys:25668395Reaxys
Citations