CHEBI:67467 - 14,15-dihydroajugapitin

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ChEBI Name 14,15-dihydroajugapitin
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 C29H44O10
Net Charge 0
Average Mass 552.65370
Monoisotopic Mass 552.29345
InChI InChI=1S/C29H44O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1
SMILES CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1
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 14,15-dihydroajugapitin (CHEBI:67467) has role antifeedant (CHEBI:22583)
14,15-dihydroajugapitin (CHEBI:67467) has role plant metabolite (CHEBI:76924)
14,15-dihydroajugapitin (CHEBI:67467) is a acetate ester (CHEBI:47622)
14,15-dihydroajugapitin (CHEBI:67467) is a cyclic acetal (CHEBI:59770)
14,15-dihydroajugapitin (CHEBI:67467) is a diterpenoid (CHEBI:23849)
14,15-dihydroajugapitin (CHEBI:67467) is a furofuran (CHEBI:47790)
14,15-dihydroajugapitin (CHEBI:67467) is a spiro-epoxide (CHEBI:133131)
(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate
Registry Number Type Source
6759279 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21539300 PubMed citation Europe PMC
Last Modified
23 August 2016