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CHEBI:2415 - acetylcaranine

ChEBI IDCHEBI:2415
ChEBI Nameacetylcaranine
Stars
DefinitionAn organic heteropentacyclic compound that is caranine in which the hydroxy group is acetylated.
Last Modified23 January 2015
DownloadsMolfile
FormulaC18H19NO4
Net Charge0
Average Mass313.353
Monoisotopic Mass313.13141
SMILES[H][C@@]12C3=CC[C@@H](OC(C)=O)[C@@]1([H])c1cc4c(cc1CN2CC3)OCO4
InChIInChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1
InChIKeySEWQEQSXDGJDGG-ZTFGCOKTSA-N
Species of MetaboliteComponentSourceComments
Amaryllis belladonna (ncbitaxon:51432) - PubMed (6512532)
Ammocharis coranica (ncbitaxon:180132) - PubMed (10846753)
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)
acetylcaranine (CHEBI:2415) has functional parent caranine (CHEBI:3383)
acetylcaranine (CHEBI:2415) has role plant metabolite (CHEBI:76924)
acetylcaranine (CHEBI:2415) is a acetate ester (CHEBI:47622)
acetylcaranine (CHEBI:2415) is a alkaloid (CHEBI:22315)
acetylcaranine (CHEBI:2415) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Names 
1α-acetoxy-9,10-methylenedioxygalanth-3(12)-ene
(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl acetate
Synonyms  Source
AcetylcaranineKEGG COMPOUND
BelamarineChemIDplus
Manual XrefsDatabases
C08513KEGG COMPOUND
C00001557KNApSAcK
Registry NumbersSources
Reaxys:43484Reaxys
CAS:14383-07-4KEGG COMPOUND
CAS:14383-07-4ChemIDplus
Citations