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CHEBI:68705 - globosumone A

ChEBI IDCHEBI:68705
ChEBI Nameglobosumone A
Stars
DefinitionA benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
Last Modified13 January 2014
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESC/C=C/C(=O)COC(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C13H14O5/c1-3-4-9(14)7-18-13(17)12-8(2)5-10(15)6-11(12)16/h3-6,15-16H,7H2,1-2H3/b4-3+
InChIKeyKIMBFCFJDPSYCZ-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15921417)
Roles Classification
Biological Role:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
globosumone A (CHEBI:68705) has functional parent o-orsellinic acid (CHEBI:32807)
globosumone A (CHEBI:68705) has role Chaetomium metabolite (CHEBI:76960)
globosumone A (CHEBI:68705) has role antineoplastic agent (CHEBI:35610)
globosumone A (CHEBI:68705) is a benzoate ester (CHEBI:36054)
globosumone A (CHEBI:68705) is a resorcinols (CHEBI:33572)
IUPAC Name 
(3E)-2-oxopent-3-en-1-yl 2,4-dihydroxy-6-methylbenzoate
Synonym  Source
2'-oxo-pent-3'-enyl orsellinateChEBI
Manual XrefsDatabases
9611487ChemSpider
Registry NumbersSources
Reaxys:10265012Reaxys
Citations