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CHEBI:65843 - 5-O-ethyl embelin

ChEBI IDCHEBI:65843
ChEBI Name5-O-ethyl embelin
Stars
ASCII Name5-O-ethyl embelin
DefinitionA member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a ethoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antineoplastic activity.
Last Modified2 June 2016
DownloadsMolfile
FormulaC19H30O4
Net Charge0
Average Mass322.445
Monoisotopic Mass322.21441
SMILESCCCCCCCCCCCC1=C(O)C(=O)C=C(OCC)C1=O
InChIInChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(19(15)22)23-4-2/h14,21H,3-13H2,1-2H3
InChIKeyBKAZNQWWINLHDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aegiceras corniculatum (ncbitaxon:59970)
stem (BTO:0001300) PubMed (16254827)
twig (BTO:0001411) PubMed (16254827)
Embelia ribes (ncbitaxon:459629)
leaf (BTO:0000713) PubMed (17124632)
fruit (BTO:0000486) PubMed (17124632)
Lysimachia punctata (ncbitaxon:213289) root (BTO:0001188) PubMed (15890461) Underground part of the plant
Myrsine africana (ncbitaxon:59982) fruit (BTO:0000486) Article (ELECTRON J FOOD PLANTS CHEM, 2007, 2, 20)
Oxalis erythrorhiza (IPNI:177985-2) - PubMed (12963150)
Embelia schimperi (IPNI:588468-1) - PubMed (11054840)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
5-O-ethyl embelin (CHEBI:65843) has functional parent embelin (CHEBI:4778)
5-O-ethyl embelin (CHEBI:65843) has role antineoplastic agent (CHEBI:35610)
5-O-ethyl embelin (CHEBI:65843) has role metabolite (CHEBI:25212)
5-O-ethyl embelin (CHEBI:65843) is a 1,4-benzoquinones (CHEBI:132124)
5-O-ethyl embelin (CHEBI:65843) is a enol ether (CHEBI:47985)
5-O-ethyl embelin (CHEBI:65843) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
IUPAC Name 
5-ethoxy-2-hydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Synonym  Source
5-ethoxy-2-hydroxy-3-undecyl-1,4-benzoquinoneChEBI
Registry NumbersSources
Reaxys:10027880Reaxys
Citations