EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192566 - 1-(4-methoxyanilino)-3-[(4-methoxyphenyl)thio]propan-2-ol

ChEBI IDCHEBI:192566
ChEBI Name1-(4-methoxyanilino)-3-[(4-methoxyphenyl)thio]propan-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO3S
Net Charge0
Average Mass319.426
Monoisotopic Mass319.12421
SMILESCOc1ccc(NCC(O)CSc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-20-15-5-3-13(4-6-15)18-11-14(19)12-22-17-9-7-16(21-2)8-10-17/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyWOZMFPSJTHTPBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-(4-methoxyanilino)-3-[(4-methoxyphenyl)thio]propan-2-ol (CHEBI:192566) is a aromatic ether (CHEBI:35618)
1-(4-methoxyanilino)-3-[(4-methoxyphenyl)thio]propan-2-ol (CHEBI:192566) is a substituted aniline (CHEBI:48975)
IUPAC Name 
1-(4-methoxyanilino)-3-(4-methoxyphenyl)sulanylpropan-2-ol
Manual XrefsDatabases
2021840ChemSpider