EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70214 - dichotomide VI

ChEBI IDCHEBI:70214
ChEBI Namedichotomide VI
Stars
DefinitionA β-carboline alkaloid that is 9H-β-carboline substituted by acetyl group at position 1, a hydroxy group at position 8 and an aminocarbonyl at position 3. It has been isolated from Stellaria dichotoma var. lanceolata.
Last Modified16 October 2014
DownloadsMolfile
FormulaC14H11N3O3
Net Charge0
Average Mass269.260
Monoisotopic Mass269.08004
SMILESCC(=O)c1nc(C(N)=O)cc2c1nc1c(O)cccc12
InChIInChI=1S/C14H11N3O3/c1-6(18)11-13-8(5-9(16-11)14(15)20)7-3-2-4-10(19)12(7)17-13/h2-5,17,19H,1H3,(H2,15,20)
InChIKeyBQCOVTPWSCEKDZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (21090796) Methanolic extract of air-dried, powdered roots
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)
dichotomide VI (CHEBI:70214) has role plant metabolite (CHEBI:76924)
dichotomide VI (CHEBI:70214) is a aromatic ketone (CHEBI:76224)
dichotomide VI (CHEBI:70214) is a monocarboxylic acid amide (CHEBI:29347)
dichotomide VI (CHEBI:70214) is a phenols (CHEBI:33853)
dichotomide VI (CHEBI:70214) is a β-carboline alkaloid (CHEBI:83325)
IUPAC Name 
1-acetyl-8-hydroxy-9H-β-carboline-3-carboxamide
Citations