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CHEBI:65962 - gigantetronenin

ChEBI IDCHEBI:65962
ChEBI Namegigantetronenin
Stars
DefinitionA member of the class of oxolanes that is tetrahydrofuran substituted by a 6-hydroxy-7-(5-methyl-2-oxo-2,5-dihydrofuran-3-yl)heptyl group at position 2 and a (8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl group at position 5. Isolated from Goniothalamus giganteus, it exhibits cytotoxic activity.
Last Modified5 March 2020
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILESCCCCCCCCCCCC/C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-16-17-20-31(38)28-30-27-29(2)43-37(30)42/h14-15,27,29,31-36,38-41H,3-13,16-26,28H2,1-2H3/b15-14-
InChIKeyLFIZQGRMDGWRQH-PFONDFGASA-N
Species of MetaboliteComponentSourceComments
Goniothalamus giganteus (ncbitaxon:261092) bark (BTO:0001301) PubMed (1479382)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
gigantetronenin (CHEBI:65962) has role antineoplastic agent (CHEBI:35610)
gigantetronenin (CHEBI:65962) has role plant metabolite (CHEBI:76924)
gigantetronenin (CHEBI:65962) is a butenolide (CHEBI:50523)
gigantetronenin (CHEBI:65962) is a oxolanes (CHEBI:26912)
gigantetronenin (CHEBI:65962) is a polyketide (CHEBI:26188)
gigantetronenin (CHEBI:65962) is a secondary alcohol (CHEBI:35681)
gigantetronenin (CHEBI:65962) is a tetrol (CHEBI:33573)
IUPAC Name 
3-(2-hydroxy-7-{5-[(8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl]tetrahydrofuran-2-yl}heptyl)-5-methylfuran-2(5H)-one
Registry NumbersSources
Reaxys:6832033Reaxys
CAS:145403-31-2ChemIDplus
Citations