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CHEBI:136557 - (4aS,10bR)-noroxomaritidine

ChEBI IDCHEBI:136557
ChEBI Name(4aS,10bR)-noroxomaritidine
Stars
ASCII Name(4aS,10bR)-noroxomaritidine
DefinitionAn isoquinoline alkaloid that is 4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one carrying additional hydroxy and methoxy substituents at positions 8 and 9 respectively (the 4aS,10bR-diastereomer).
Last Modified16 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILES[H][C@]12CC(=O)C=C[C@@]13CCN2Cc1cc(O)c(OC)cc13
InChIInChI=1S/C16H17NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,15,19H,4-5,7,9H2,1H3/t15-,16-/m0/s1
InChIKeyVEXDOCFQMVMPHJ-HOTGVXAUSA-N
Species of MetaboliteComponentSourceComments
Galanthus elwesii (ncbitaxon:82232) - PubMed (26941773)
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)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) has role plant metabolite (CHEBI:76924)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a aromatic ether (CHEBI:35618)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a bridged compound (CHEBI:35990)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a cyclic ketone (CHEBI:3992)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a enone (CHEBI:51689)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a isoquinoline alkaloid (CHEBI:24921)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a organic heterotetracyclic compound (CHEBI:38163)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a phenols (CHEBI:33853)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is a tertiary amino compound (CHEBI:50996)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is conjugate base of (4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995)
(4aS,10bR)-noroxomaritidine (CHEBI:136557) is enantiomer of (4aR,10bS)-noroxomaritidine (CHEBI:136560)
Incoming Relation(s)
(4aS,10bR)-noroxomaritidine(1+) (CHEBI:133995) is conjugate acid of (4aS,10bR)-noroxomaritidine (CHEBI:136557)
(4aR,10bS)-noroxomaritidine (CHEBI:136560) is enantiomer of (4aS,10bR)-noroxomaritidine (CHEBI:136557)
IUPAC Name 
(4aS,10bR)-8-hydroxy-9-methoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one
Manual XrefsDatabases
C21405KEGG COMPOUND
CPD-19434MetaCyc
Registry NumbersSources
Reaxys:1545884Reaxys
Reaxys:21385538Reaxys
Citations