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CHEBI:27795 - β-erythroidine

ChEBI IDCHEBI:27795
ChEBI Nameβ-erythroidine
Stars
ASCII Namebeta-erythroidine
DefinitionAn organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the α isomer in having the double bond of the dihydropyranone ring located β,γ- to the lactone carbonyl group instead of α,β-.
Secondary ChEBI IDsCHEBI:10416, CHEBI:22839
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H19NO3
Net Charge0
Average Mass273.332
Monoisotopic Mass273.13649
SMILESCO[C@H]1C=CC2=CCN3CCC4=C(CC(=O)OC4)[C@]23C1
InChIInChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3/t13-,16-/m0/s1
InChIKeyPXWINCSLFXUWBZ-BBRMVZONSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
muscle relaxant  A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
ChEBI Ontology
Outgoing Relation(s)
β-erythroidine (CHEBI:27795) has role muscle relaxant (CHEBI:51371)
β-erythroidine (CHEBI:27795) has role plant metabolite (CHEBI:76924)
β-erythroidine (CHEBI:27795) is a indole alkaloid (CHEBI:38958)
β-erythroidine (CHEBI:27795) is a organic heterotetracyclic compound (CHEBI:38163)
β-erythroidine (CHEBI:27795) is a tertiary amino compound (CHEBI:50996)
β-erythroidine (CHEBI:27795) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
dihydro-β-erythroidine (CHEBI:34705) has functional parent β-erythroidine (CHEBI:27795)
IUPAC Name 
(4bS,6R)-6-methoxy-1,4,6,10,12,13-hexahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
Synonyms  Source
12,13-didehydro-13,14-dihydro-α-erythroidineChemIDplus
(+)-β-erythroidineChEBI
Manual XrefsDatabases
C06532KEGG COMPOUND
US2373952Patent
US2385266Patent
US2407713Patent
C00001854KNApSAcK
Registry NumbersSources
Reaxys:36194Reaxys
CAS:466-81-9KEGG COMPOUND
CAS:466-81-9ChemIDplus
Citations