CHEBI:81200 - (S)-corytuberine

ChEBI IDCHEBI:81200
ChEBI Name(S)-corytuberine
Stars
ASCII Name(S)-corytuberine
DefinitionAn aporphine alkaloid that is aporphine which is substituted by hydroxy groups at positions 1 and 11, and by methoxy groups at positions 2 and 10 (the S enantiomer).
Last Modified4 January 2017
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILES[H][C@]12Cc3ccc(OC)c(O)c3-c3c(O)c(OC)cc(c31)CCN2C
InChIInChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
InChIKeyWHFUDAOCYRYAKQ-LBPRGKRZSA-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.
ChEBI Ontology
Outgoing Relation(s)
(S)-corytuberine (CHEBI:81200) has role plant metabolite (CHEBI:76924)
(S)-corytuberine (CHEBI:81200) is a aporphine alkaloid (CHEBI:134209)
(S)-corytuberine (CHEBI:81200) is a aromatic ether (CHEBI:35618)
(S)-corytuberine (CHEBI:81200) is a organic heterotetracyclic compound (CHEBI:38163)
(S)-corytuberine (CHEBI:81200) is a polyphenol (CHEBI:26195)
(S)-corytuberine (CHEBI:81200) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(S)-magnoflorine (CHEBI:6641) has functional parent (S)-corytuberine (CHEBI:81200)
IUPAC Name 
(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol
Synonym  Source
(+)-corytuberineKNApSAcK
UniProt Name  Source
(S)-corytuberineUniProt
Manual XrefsDatabases
C00025655KNApSAcK
C17591KEGG COMPOUND
CPD-9935MetaCyc
Registry NumbersSources
Reaxys:94033Reaxys
CAS:517-56-6ChemIDplus
Citations