CHEBI:156435 - isoflavipucine

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ChEBI Name isoflavipucine
ChEBI ID CHEBI:156435
Definition A natural product found in Aspergillus flavipes with weak cytotoxicity against human leukemia HL-60 cells.
Stars This entity has been manually annotated by a third party.
Submitter Martin Larralde
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C12H15NO4
Net Charge 0
Average Mass 237.255
Monoisotopic Mass 237.10011
InChI InChI=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)
InChIKey VALUPXXLHSBISM-UHFFFAOYSA-N
SMILES C1(OC2=C(O1)C(=O)NC(C)=C2)C(=O)CC(C)C
Metabolite of Species Details
Phoma sp. (NCBI:txid1707701) See: PubMed
Calcarisporium arbuscula (NCBI:txid240499) of strain NRRL 3705 See: PubMed
Aspergillus terreus NIH2624 (NCBI:txid341663) See: PubMed
Aspergillus flavipes (NCBI:txid41900) See: DOI
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
mycotoxin
Poisonous substance produced by fungi.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoflavipucine (CHEBI:156435) has part δ-lactam ring (CHEBI:52910)
isoflavipucine (CHEBI:156435) has part isobutyl group (CHEBI:30356)
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 δ-lactam (CHEBI:77727)
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)
IUPAC Name
(2R)-6-methyl-2-(3-methylbutanoyl)-5H-[1,3]dioxolo[4,5-c]pyridin-4-one
Synonym Source
(±)-isoflavipucine SUBMITTER
Citations Types Sources
21236704 PubMed citation SUBMITTER
27376480 PubMed citation SUBMITTER
32580753 PubMed citation SUBMITTER