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CHEBI:67464 - 14,15-dihydroclerodin

ChEBI IDCHEBI:67464
ChEBI Name14,15-dihydroclerodin
Stars
DefinitionA diterpenoid isolated from the aerial parts of Ajuga bracteosa and has been shown to exhibit antifeedant activity.
Last Modified23 August 2016
DownloadsMolfile
FormulaC24H36O7
Net Charge0
Average Mass436.545
Monoisotopic Mass436.24610
SMILES[H][C@]12CCO[C@@]1([H])O[C@]([H])([C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@]4(CCC[C@]13[H])CO4)C2
InChIInChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1
InChIKeyGLFMZGODSSXZRK-NVSXQWMQSA-N
Species of MetaboliteComponentSourceComments
Ajuga bracteosa (IPNI:444535-1) aerial part (BTO:0001658) PubMed (21539300) Crude dichloromethane extract of dried and powdered aerial parts
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:
antifeedant  A substance that prevents pests from feeding.
ChEBI Ontology
Outgoing Relation(s)
14,15-dihydroclerodin (CHEBI:67464) has role antifeedant (CHEBI:22583)
14,15-dihydroclerodin (CHEBI:67464) has role plant metabolite (CHEBI:76924)
14,15-dihydroclerodin (CHEBI:67464) is a acetate ester (CHEBI:47622)
14,15-dihydroclerodin (CHEBI:67464) is a cyclic acetal (CHEBI:59770)
14,15-dihydroclerodin (CHEBI:67464) is a diterpenoid (CHEBI:23849)
14,15-dihydroclerodin (CHEBI:67464) is a furofuran (CHEBI:47790)
14,15-dihydroclerodin (CHEBI:67464) is a spiro-epoxide (CHEBI:133131)
IUPAC Name 
{(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate
Registry NumbersSources
Reaxys:4588733Reaxys
Citations