CHEBI:173105 - talaroconvolutin A

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ChEBI Name talaroconvolutin A
ChEBI ID CHEBI:173105
Definition An octahydronaphthalene with formula C32H41NO3. It is a fungal metabolite isolated from Talaromyces convolutus and is an inducer of ferroptosis in colorectal cancer cells.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H41NO3
Net Charge 0
Average Mass 487.684
Monoisotopic Mass 487.30864
InChI InChI=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
InChIKey QCTUYJGFLVZOTL-NKPJVERHSA-N
SMILES [H][C@]12CC[C@H](C)C[C@]1(C)C=C(C)[C@@H]([C@@H]2C(=O)C1=C\C(NC1=O)=C\C1=CC=C(O)C=C1)C(\C)=C\C(C)CC
Metabolite of Species Details
Talaromyces convolutus (NCBI:txid1131474) See: PubMed
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
Cladosporium sp. (NCBI:txid1707700) of strain HNWSW-1 See: PubMed
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
(−)-talaroconvolutin A KNApSAcK
TalaA ChEBI
Manual Xrefs Databases
4977457 ChemSpider
C00047099 KNApSAcK
View more database links
Registry Number Type Source
273199-42-1 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
10869198 PubMed citation Europe PMC
15575782 PubMed citation Europe PMC
30520578 PubMed citation Europe PMC
30577517 PubMed citation Europe PMC
33203867 PubMed citation Europe PMC
Last Modified
28 May 2021