BioModels Ontology

Last uploaded: April 3, 2012

Id	http://purl.obolibrary.org/obo/CHEBI_4781 http://purl.obolibrary.org/obo/CHEBI_4781
Preferred Name	emetine
Definitions	A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions.
Type	http://www.w3.org/2002/07/owl#Class

definition	A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions.
label	emetine
prefLabel	emetine
has functional parent	http://purl.obolibrary.org/obo/CHEBI_3533
prefixIRI	CHEBI:4781
subClassOf	http://purl.obolibrary.org/obo/CHEBI_61692
has parent hydride	http://purl.obolibrary.org/obo/CHEBI_36380
type	http://www.w3.org/2002/07/owl#Class
alternative term	C29H40N2O4 6',7',10,11-tetramethoxyemetan [H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC methyl cephaeline Emetin cephaeline methyl ether InChIKey=AUVVAXYIELKVAI-CKBKHPSWSA-N Emetine InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 See more See less

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