EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134213 - (S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)

ChEBI IDCHEBI:134213
ChEBI Name(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)
Stars
ASCII Name(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)
DefinitionA aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of (S)-glaucine.
Last Modified6 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H28NO4
Net Charge+1
Average Mass370.469
Monoisotopic Mass370.20128
SMILES[H][C@]12Cc3cc(OC)c(OC)cc3-c3c(OC)c(OC)cc(c31)CC[N+]2(C)C
InChIInChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1
InChIKeyWKHHFWJJIRCXHA-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Isopyrum thalictroides (ncbitaxon:432643)
root (BTO:0001188) PubMed (15143837)
rhizome (BTO:0001181) PubMed (15143837)
Roles Classification
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.
ChEBI Ontology
Outgoing Relation(s)
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) (CHEBI:134213) has functional parent (S)-glaucine (CHEBI:5373)
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) (CHEBI:134213) has role plant metabolite (CHEBI:76924)
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) (CHEBI:134213) is a aporphine alkaloid (CHEBI:134209)
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+) (CHEBI:134213) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Synonyms  Source
N-methyl-(S)-glaucine(1+)ChEBI
N-MethylglaucineKNApSAcK
1,2-dimethoxy-N,O,O-trimethylapomorphiniumChEBI
(S)-1,2,9,10-tetramethoxy-6-methylaporphiniumChEBI
(S)-N-methylglaucine(1+)ChEBI
UniProt Name  Source
(S)-N-methylglaucineUniProt
Manual XrefsDatabases
C00028700KNApSAcK
Registry NumbersSources
Reaxys:1555014Reaxys
CAS:2533-94-0KNApSAcK
Citations