CHEBI:68705 - globosumone A

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ChEBI Name globosumone A ChEBI ID CHEBI:68705 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H14O5 Net Charge 0 Average Mass 250.24730 Monoisotopic Mass 250.08412 InChI InChI=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+ InChIKey KIMBFCFJDPSYCZ-ONEGZZNKSA-N SMILES C\C=C\C(=O)COC(=O)c1c(C)cc(O)cc1O Metabolite of Species Details Chaetomium globosum (NCBI:txid38033) See: PubMed Roles Classification Biological Role(s): Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 2ʼ-oxo-pent-3ʼ-enyl orsellinate ChEBI Manual Xref Database 9611487 ChemSpider View more database links Registry Number Type Source 10265012 Reaxys Registry Number Reaxys Citation Type Source 15921417 PubMed citation Europe PMC Last Modified 13 January 2014