globosumone B (CHEBI:68706)

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ChEBI Name	globosumone B

ChEBI ID	CHEBI:68706

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O6

Net Charge

Average Mass

268.26250

Monoisotopic Mass

268.09469

InChI

InChI=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

InChIKey

XPROBYNUZWGFGY-QMMMGPOBSA-N

SMILES

C[C@H](O)CC(=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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

2ʼ-oxo-4ʼS-hydroxypentyl orsellinate

Registry Number	Type	Source
11045322	Reaxys Registry Number	Reaxys

Citation	Type	Source
15921417	PubMed citation	Europe PMC

Last Modified

15 October 2013