CHEBI:2425 - achillin

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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
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Formula C15H18O3
Net Charge 0
Average Mass 246.30160
Monoisotopic Mass 246.126
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
An effector that binds to and activates the enzyme nitric oxide synthase (EC 1.14.13.39)
View more via ChEBI Ontology
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
Manual Xrefs Databases
C00003205 KNApSAcK
C09287 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1253670 Reaxys Registry Number Reaxys
5956-04-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10418323 PubMed citation Europe PMC
12889533 PubMed citation Europe PMC
25227949 PubMed citation Europe PMC
Last Modified
29 January 2015