CHEBI:65850 - 7-epiclusianone

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ChEBI Name 7-epiclusianone
ChEBI ID CHEBI:65850
Definition An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H42O4
Net Charge 0
Average Mass 502.68420
Monoisotopic Mass 502.30831
InChI InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,36H,15,18-20H2,1-8H3/t25-,32-,33+/m0/s1
InChIKey LTDDHUQIMJCFPX-DZMJNENTSA-N
SMILES CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C
Metabolite of Species Details
Garcinia brasiliensis (IPNI:77100484-1) Found in pericarp (BTO:0001017). See: PubMed
Garcinia brasiliensis (IPNI:77100484-1) Found in fruit (BTO:0000486). See: PubMed
Rheedia gardneriana (NCBI:txid469955) See: DOI
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.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
trypanocidal drug
A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
vasodilator agent
A drug used to cause dilation of the blood vessels.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-epiclusianone (CHEBI:65850) has role anti-allergic agent (CHEBI:50857)
7-epiclusianone (CHEBI:65850) has role anti-inflammatory agent (CHEBI:67079)
7-epiclusianone (CHEBI:65850) has role antibacterial agent (CHEBI:33282)
7-epiclusianone (CHEBI:65850) has role metabolite (CHEBI:25212)
7-epiclusianone (CHEBI:65850) has role trypanocidal drug (CHEBI:36335)
7-epiclusianone (CHEBI:65850) has role vasodilator agent (CHEBI:35620)
7-epiclusianone (CHEBI:65850) is a aromatic ketone (CHEBI:76224)
7-epiclusianone (CHEBI:65850) is a bridged compound (CHEBI:35990)
7-epiclusianone (CHEBI:65850) is a enol (CHEBI:33823)
7-epiclusianone (CHEBI:65850) is a enone (CHEBI:51689)
IUPAC Name
(1R,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Manual Xref Database
CN101293821 Patent
View more database links
Registry Number Type Source
8088873 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10075791 PubMed citation Europe PMC
16716915 PubMed citation Europe PMC
17562491 PubMed citation Europe PMC
19653314 PubMed citation Europe PMC
21924261 PubMed citation Europe PMC
Last Modified
07 November 2013