EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:142339 - (Z)-desmethyldoxepin

ChEBI IDCHEBI:142339
ChEBI Name(Z)-desmethyldoxepin
Stars
ASCII Name(Z)-desmethyldoxepin
DefinitionThe (Z)-isomer of desmethyldoxepin.
Last Modified21 September 2018
SubmitterAdnan
DownloadsMolfile
FormulaC18H19NO
Net Charge0
Average Mass265.356
Monoisotopic Mass265.14666
SMILES[H]/C(CCNC)=C1\c2ccccc2COc2ccccc21
InChIInChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
InChIKeyHVKCEFHNSNZIHO-YBEGLDIGSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
(Z)-desmethyldoxepin (CHEBI:142339) is a desmethyldoxepin (CHEBI:141547)
IUPAC Name 
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine
Synonyms  Source
(Z)-desmethyldoxepinChEBI
cis-desmethyldoxepinChEBI
(Z)-N-desmethyldoxepinChEBI
cis-N-desmethyldoxepinChemIDplus
Registry NumbersSources
Reaxys:6483007Reaxys
CAS:58534-46-6ChemIDplus
Citations