achillin (CHEBI:2425)

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ChEBI Name	achillin

ChEBI ID	CHEBI:2425

Definition	A sesquiterpene lactone that is (3R,3aS,9aS,9bS)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying three additional methyl substituents at positions 3, 6 and 9.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O3

Net Charge

Average Mass

246.30160

Monoisotopic Mass

246.12559

InChI

InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1

InChIKey

BJPSSVHNEGMBDQ-OAACRXHESA-N

SMILES

[H][C@@]12CCC(C)=C3C(=O)C=C(C)[C@]3([H])[C@@]1([H])OC(=O)[C@@H]2C

Metabolite of Species	Details
Anthemis scrobicularis (NCBI:txid589792)	Found in aerial part (BTO:0001658). See: PubMed
Artemisia feddei (NCBI:txid637478)	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. nitric oxide synthase activator Any compound that binds to and activates the enzyme nitric oxide synthase (EC 1.14.13.39).

ChEBI Ontology
Outgoing	achillin (CHEBI:2425) has role nitric oxide synthase activator (CHEBI:73966) achillin (CHEBI:2425) has role plant metabolite (CHEBI:76924) achillin (CHEBI:2425) is a azulenofuran (CHEBI:39433) achillin (CHEBI:2425) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Synonym	Source
Achillin	KEGG COMPOUND

Last Modified

29 January 2015