CHEBI:66148 - komaroviquinone

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ChEBI Name komaroviquinone
ChEBI ID CHEBI:66148
Definition A tetracyclic diterpenoid isolated from Dracocephalum komarovii and has been shown to exhibit trypanocidal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O5
Net Charge 0
Average Mass 360.44400
Monoisotopic Mass 360.19367
InChI InChI=1S/C21H28O5/c1-11(2)14-17(23)15-12(16(22)18(14)25-5)9-20-8-6-7-19(3,4)13(20)10-21(15,24)26-20/h11,13,24H,6-10H2,1-5H3/t13-,20-,21-/m0/s1
InChIKey DUWHKUPNNGPNFK-ZEWGMFERSA-N
SMILES [H][C@@]12C[C@]3(O)O[C@@]1(CCCC2(C)C)CC1=C3C(=O)C(C(C)C)=C(OC)C1=O
Metabolite of Species Details
Dracocephalum komarovii (IPNI:446449-1) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application(s): trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing komaroviquinone (CHEBI:66148) has role metabolite (CHEBI:25212)
komaroviquinone (CHEBI:66148) has role trypanocidal drug (CHEBI:36335)
komaroviquinone (CHEBI:66148) is a p-quinones (CHEBI:25830)
komaroviquinone (CHEBI:66148) is a bridged compound (CHEBI:35990)
komaroviquinone (CHEBI:66148) is a lactol (CHEBI:38131)
komaroviquinone (CHEBI:66148) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name
(4aS,10S,11aS)-10-hydroxy-7-methoxy-1,1-dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4a,10-epoxydibenzo[a,d][7]annulene-6,9-dione
Synonym Source
(+)-komaroviquinone ChEBI
Registry Number Type Source
9438711 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12542361 PubMed citation Europe PMC
16149801 PubMed citation Europe PMC
16304182 PubMed citation Europe PMC
19461991 PubMed citation Europe PMC
Last Modified
03 June 2016