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CHEBI:68706 - globosumone B

ChEBI IDCHEBI:68706
ChEBI Nameglobosumone B
Stars
DefinitionA benzoate ester obtained by the formal condensation of o-orsellinic acid with (4S)-1,4-dihydroxypentan-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
Last Modified15 October 2013
DownloadsMolfile
FormulaC13H16O6
Net Charge0
Average Mass268.265
Monoisotopic Mass268.09469
SMILESCc1cc(O)cc(O)c1C(=O)OCC(=O)C[C@H](C)O
InChIInChI=1S/C13H16O6/c1-7-3-9(15)5-11(17)12(7)13(18)19-6-10(16)4-8(2)14/h3,5,8,14-15,17H,4,6H2,1-2H3/t8-/m0/s1
InChIKeyXPROBYNUZWGFGY-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15921417)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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)
globosumone B (CHEBI:68706) has functional parent o-orsellinic acid (CHEBI:32807)
globosumone B (CHEBI:68706) has role Chaetomium metabolite (CHEBI:76960)
globosumone B (CHEBI:68706) has role antineoplastic agent (CHEBI:35610)
globosumone B (CHEBI:68706) has role metabolite (CHEBI:25212)
globosumone B (CHEBI:68706) is a benzoate ester (CHEBI:36054)
globosumone B (CHEBI:68706) is a resorcinols (CHEBI:33572)
IUPAC Names 
(4S)-4-hydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate
2'-oxo-4'S-hydroxypentyl orsellinate
Manual XrefsDatabases
9657373ChemSpider
Registry NumbersSources
Reaxys:11045322Reaxys
Citations