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CHEBI:135449 - thebacon

Default Structure
ChEBI IDCHEBI:135449
ChEBI Namethebacon
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILES[H][C@@]12CC=C(OC(C)=O)[C@]3([H])Oc4c(OC)ccc5c4[C@]13CCN(C)[C@]2([H])C5
InChIInChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3/t13-,14+,19-,20-/m0/s1
InChIKeyRRJQTGHQFYTZOW-ILWKUFEGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antitussive  An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.
ChEBI Ontology
Outgoing Relation(s)
thebacon (CHEBI:135449) has role antitussive (CHEBI:51177)
thebacon (CHEBI:135449) is a morphinane alkaloid (CHEBI:25418)
Synonyms  Source
acetyldemethyldihydrothebaineDrugCentral
acetyldihydrochodeinoneDrugCentral
acetyldihydrocodeinoneDrugCentral
Dea no. 9315ChEMBL
dihydrocodeinone enol acetateDrugCentral
IDS-NT-001ChEMBL
Manual XrefsDatabases
3144DrugCentral
Registry NumbersSources
CAS:466-90-0DrugCentral