CHEBI:67468 - ajubractin E

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ChEBI Name ajubractin E
Definition A diterpenoid isolated from the aerial parts of Ajuga bracteosa.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H36O8
Net Charge 0
Average Mass 452.53780
Monoisotopic Mass 452.24102
InChI InChI=1S/C24H36O8/c1-13-9-20(31-15(3)26)23(11-29-14(2)25)17(5-6-18(27)24(23)12-30-24)22(13,4)19-10-16-7-8-28-21(16)32-19/h13,16-21,27H,5-12H2,1-4H3/t13-,16-,17-,18+,19+,20+,21+,22+,23+,24-/m1/s1
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CC[C@H](O)[C@]22CO2)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1
Metabolite of Species Details
Ajuga bracteosa (IPNI:444535-1) Found in aerial part (BTO:0001658). Crude dichloromethane extract of dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antifeedant
A substance that prevents pests from feeding.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ajubractin E (CHEBI:67468) has role antifeedant (CHEBI:22583)
ajubractin E (CHEBI:67468) has role plant metabolite (CHEBI:76924)
ajubractin E (CHEBI:67468) is a acetate ester (CHEBI:47622)
ajubractin E (CHEBI:67468) is a cyclic acetal (CHEBI:59770)
ajubractin E (CHEBI:67468) is a diterpenoid (CHEBI:23849)
ajubractin E (CHEBI:67468) is a furofuran (CHEBI:47790)
ajubractin E (CHEBI:67468) is a spiro-epoxide (CHEBI:133131)
{(1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-2-hydroxy-5,6-dimethyloctahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate
Synonyms Sources
3-epi-14,15-dihydrocaryoptinol ChEBI
3β-hydroxy-14,15-dihydroclerodin ChEBI
Registry Number Type Source
21534270 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21539300 PubMed citation Europe PMC
Last Modified
24 August 2016