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

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ChEBI Name 3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione ChEBI ID CHEBI:68077 Definition A 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. 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 C17H22N2O4 Net Charge 0 Average Mass 318.36760 Monoisotopic Mass 318.15796 InChI InChI=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) InChIKey KRLKPTMEUFJHKD-UHFFFAOYSA-N SMILES CC(C)=CCOc1ccc(CC2NC(=O)C(CO)NC2=O)cc1 Metabolite of Species Details Penicillium chrysogenum (NCBI:txid5076) Found in mycelium (BTO:0001436). Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth of strain PXP 55 See: PubMed Roles Classification Biological Role(s): Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Number Type Source 21559824 Reaxys Registry Number Reaxys Citation Type Source 21381678 PubMed citation Europe PMC Last Modified 13 January 2014