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CHEBI:156435 - isoflavipucine

ChEBI IDCHEBI:156435
ChEBI Nameisoflavipucine
Stars
DefinitionA natural product found in Aspergillus flavipes with weak cytotoxicity against human leukemia HL-60 cells.
SubmitterMartin Larralde
DownloadsMolfile
FormulaC12H15NO4
Net Charge0
Average Mass237.255
Monoisotopic Mass237.10011
SMILESCc1cc2c(c(=O)n1)OC(C(=O)CC(C)C)O2
InChIInChI=1S/C12H15NO4/c1-6(2)4-8(14)12-16-9-5-7(3)13-11(15)10(9)17-12/h5-6,12H,4H2,1-3H3,(H,13,15)
InChIKeyVALUPXXLHSBISM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma sp. (ncbitaxon:1707701) - PubMed (27376480)
Aspergillus flavipes (ncbitaxon:41900) - DOI (10.1139/v77-085)
Aspergillus terreus NIH2624 (ncbitaxon:341663) - PubMed (21236704)
Calcarisporium arbuscula (ncbitaxon:240499) - PubMed (32580753) Strain: NRRL 3705
Roles Classification
Biological Roles:
mycotoxin  Poisonous substance produced by fungi.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
isoflavipucine (CHEBI:156435) has part isobutyl group (CHEBI:30356)
isoflavipucine (CHEBI:156435) has part δ-lactam ring (CHEBI:52910)
isoflavipucine (CHEBI:156435) has role Aspergillus metabolite (CHEBI:76956)
isoflavipucine (CHEBI:156435) has role antineoplastic agent (CHEBI:35610)
isoflavipucine (CHEBI:156435) has role mycotoxin (CHEBI:25442)
isoflavipucine (CHEBI:156435) is a cyclic acetal (CHEBI:59770)
isoflavipucine (CHEBI:156435) is a dioxolane (CHEBI:39430)
isoflavipucine (CHEBI:156435) is a ketone (CHEBI:17087)
isoflavipucine (CHEBI:156435) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(2R)-6-methyl-2-(3-methylbutanoyl)-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
Synonym  Source
(±)-isoflavipucineSUBMITTER
Citations