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CHEBI:444 - (S)-cis-N-methylstylopine

ChEBI IDCHEBI:444
ChEBI Name(S)-cis-N-methylstylopine
Stars
ASCII Name(S)-cis-N-methylstylopine
Last Modified4 October 2019
DownloadsMolfile
FormulaC20H20NO4
Net Charge+1
Average Mass338.383
Monoisotopic Mass338.13868
SMILES[H][C@@]12Cc3ccc4c(c3C[N@+]1(C)CCc1cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1
InChIKeyGBUUKFRQPCPYPW-KKSFZXQISA-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.
ChEBI Ontology
Outgoing Relation(s)
(S)-cis-N-methylstylopine (CHEBI:444) has functional parent (S)-stylopine (CHEBI:18285)
(S)-cis-N-methylstylopine (CHEBI:444) is a an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine (CHEBI:194529)
(S)-cis-N-methylstylopine (CHEBI:444) is a berberine alkaloid (CHEBI:22754)
(S)-cis-N-methylstylopine (CHEBI:444) is a organic heterohexacyclic compound (CHEBI:51914)
(S)-cis-N-methylstylopine (CHEBI:444) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium
Synonym  Source
(S)-cis-N-methylstylopineKEGG COMPOUND
UniProt Name  Source
(S)-cis-N-methylstylopineUniProt
Manual XrefsDatabases
C06163KEGG COMPOUND
Registry NumbersSources
Beilstein:4723082Beilstein