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CHEBI:68077 - 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione

ChEBI IDCHEBI:68077
ChEBI Name3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
Stars
DefinitionA piperazinone that is piperazine-2,5-dione substituted by a hydroxymethyl group at position 3 and a benzyl group at position 6 which in turn is substituted by a prenyloxy group at position 4. It has been isolated from Penicillium chrysogenum.
Last Modified13 January 2014
DownloadsMolfile
FormulaC17H22N2O4
Net Charge0
Average Mass318.373
Monoisotopic Mass318.15796
SMILESCC(C)=CCOc1ccc(CC2NC(=O)C(CO)NC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyKRLKPTMEUFJHKD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione (CHEBI:68077) has role Penicillium metabolite (CHEBI:76964)
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione (CHEBI:68077) is a aromatic ether (CHEBI:35618)
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione (CHEBI:68077) is a cyclic ketone (CHEBI:3992)
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione (CHEBI:68077) is a piperazinone (CHEBI:46846)
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione (CHEBI:68077) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3-(hydroxymethyl)-6-{4-[(3-methylbut-2-en-1-yl)oxy]benzyl}piperazine-2,5-dione
Registry NumbersSources
Reaxys:21559824Reaxys
Citations