CHEBI:69868 - ajugaciliatin G

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ChEBI Name ajugaciliatin G
ChEBI ID CHEBI:69868
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 C24H34O9
Net Charge 0
Average Mass 466.52140
Monoisotopic Mass 466.22028
InChI InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey ROPQJIBJNYFSAT-ILXDFJSXSA-N
SMILES C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]3[C@@H](CC[C@]2(O)CO)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 G (CHEBI:69868) has role plant metabolite (CHEBI:76924)
ajugaciliatin G (CHEBI:69868) is a acetate ester (CHEBI:47622)
ajugaciliatin G (CHEBI:69868) is a butenolide (CHEBI:50523)
ajugaciliatin G (CHEBI:69868) is a diol (CHEBI:23824)
ajugaciliatin G (CHEBI:69868) is a diterpene lactone (CHEBI:49193)
ajugaciliatin G (CHEBI:69868) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
[(2R,3aS,4R,6S,6aR,7R,9aR,9bR)-6-(acetyloxy)-7-hydroxy-7-(hydroxymethyl)-3a,4-dimethyl-2-(5-oxo-2,5-dihydrofuran-3-yl)decahydronaphtho[1,8-bc]pyran-6a(4H)-yl]methyl acetate
Synonym Source
(12R)-6α,19-diacetoxy-1β,12-epoxy-4α,18-dihydroxyneo-clerod-13-en-15,16-olide ChEBI
Registry Number Type Source
21728540 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21682262 PubMed citation Europe PMC
Last Modified
11 March 2015