CHEBI:69869 - ajugaciliatin H

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ChEBI Name ajugaciliatin H
Definition A diterpene lactone isolated from the whole plants of Ajuga ciliata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H32O8
Net Charge 0
Average Mass 448.50610
Monoisotopic Mass 448.20972
InChI InChI=1S/C24H32O8/c1-13-7-19(31-15(3)26)24(12-29-14(2)25)21-17(5-6-23(24)11-30-23)32-18(9-22(13,21)4)16-8-20(27)28-10-16/h8,13,17-19,21H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]22CO2)O[C@H](C[C@@]13C)C1=CC(=O)OC1
Metabolite of Species Details
Ajuga ciliata (NCBI:txidtxid199542) Found in whole plant (BTO:0001461). Methanol extract of air-dried whole plant 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ajugaciliatin H (CHEBI:69869) has role plant metabolite (CHEBI:76924)
ajugaciliatin H (CHEBI:69869) is a acetate ester (CHEBI:47622)
ajugaciliatin H (CHEBI:69869) is a butenolide (CHEBI:50523)
ajugaciliatin H (CHEBI:69869) is a diterpene lactone (CHEBI:49193)
ajugaciliatin H (CHEBI:69869) is a organic heterotricyclic compound (CHEBI:26979)
ajugaciliatin H (CHEBI:69869) is a spiro-epoxide (CHEBI:133131)
[(2R,3aS,4R,6S,6aR,7R,9aR,9bR)-6-(acetyloxy)-3a,4-dimethyl-2-(5-oxo-2,5-dihydrofuran-3-yl)decahydro-6aH-spiro[naphtho[1,8-bc]pyran-7,2'-oxiran]-6a-yl]methyl acetate
Synonym Source
(12R)-6α,19-diacetoxy-1β,12:4α,18-diepoxy-neo-clerod-13-en-15,16-olide ChEBI
Registry Number Type Source
21728537 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21682262 PubMed citation Europe PMC
Last Modified
24 August 2016