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CHEBI:173105 - talaroconvolutin A

ChEBI IDCHEBI:173105
ChEBI Nametalaroconvolutin A
Stars
DefinitionAn octahydronaphthalene with formula C32H41NO3. It is a fungal metabolite isolated from Talaromyces convolutus and is an inducer of ferroptosis in colorectal cancer cells.
Last Modified28 May 2021
SubmitterAdnan
DownloadsMolfile
FormulaC32H41NO3
Net Charge0
Average Mass487.684
Monoisotopic Mass487.30864
SMILES[H][C@]12CC[C@H](C)C[C@]1(C)C=C(C)[C@H](/C(C)=C/C(C)CC)[C@@H]2C(=O)C1=C/C(=C/c2ccc(O)cc2)NC1=O
InChIInChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1
InChIKeyQCTUYJGFLVZOTL-NKPJVERHSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (30520578)
Cladosporium sp. (ncbitaxon:1707700) - PubMed (30577517) Strain: HNWSW-1
Talaromyces convolutus (ncbitaxon:1131474) - PubMed (10869198)
Roles Classification
Biological Roles:
ferroptosis inducer  Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
talaroconvolutin A (CHEBI:173105) has role antineoplastic agent (CHEBI:35610)
talaroconvolutin A (CHEBI:173105) has role ferroptosis inducer (CHEBI:173085)
talaroconvolutin A (CHEBI:173105) has role fungal metabolite (CHEBI:76946)
talaroconvolutin A (CHEBI:173105) is a ketone (CHEBI:17087)
talaroconvolutin A (CHEBI:173105) is a octahydronaphthalenes (CHEBI:138397)
talaroconvolutin A (CHEBI:173105) is a olefinic compound (CHEBI:78840)
talaroconvolutin A (CHEBI:173105) is a phenols (CHEBI:33853)
talaroconvolutin A (CHEBI:173105) is a pyrroline (CHEBI:23763)
IUPAC Name 
(5Z)-5-(4-hydroxybenzylidene)-3-({(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(2E)-4-methylhex-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Synonyms  Source
TalaAChEBI
(−)-talaroconvolutin AKNApSAcK
Manual XrefsDatabases
C00047099KNApSAcK
4977457ChemSpider
Registry NumbersSources
CAS:273199-42-1KNApSAcK
Citations