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CHEBI:34705 - dihydro-β-erythroidine

ChEBI IDCHEBI:34705
ChEBI Namedihydro-β-erythroidine
Stars
ASCII Namedihydro-beta-erythroidine
DefinitionAn organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of β-erythroidine to give the corresponding 2-ene.
Last Modified5 June 2014
DownloadsMolfile
FormulaC16H21NO3
Net Charge0
Average Mass275.348
Monoisotopic Mass275.15214
SMILESCO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
InChIInChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
InChIKeyALSKYCOJJPXPFS-BBRMVZONSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
nicotinic antagonist  An antagonist at the nicotinic cholinergic receptor.
Application:
nicotinic antagonist  An antagonist at the nicotinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
dihydro-β-erythroidine (CHEBI:34705) has functional parent β-erythroidine (CHEBI:27795)
dihydro-β-erythroidine (CHEBI:34705) has role nicotinic antagonist (CHEBI:48878)
dihydro-β-erythroidine (CHEBI:34705) is a organic heterotetracyclic compound (CHEBI:38163)
dihydro-β-erythroidine (CHEBI:34705) is a tertiary amino compound (CHEBI:50996)
dihydro-β-erythroidine (CHEBI:34705) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
Synonyms  Source
3β-methoxy-14,17-dihydro-16-oxa-erythrin-1(6)-en-15-oneChEBI
DHβEChEBI
Manual XrefsDatabases
C13682KEGG COMPOUND
Registry NumbersSources
Reaxys:36193Reaxys
CAS:23255-54-1KEGG COMPOUND
CAS:23255-54-1ChemIDplus
Citations