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 ZINC000100088791
Download Molfile XML SDF
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
Last Modified
07 November 2013