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CHEBI:65811 - drummondin F

Default Structure
ChEBI IDCHEBI:65811
ChEBI Namedrummondin F
Stars
DefinitionA benzenetriol that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis.
Last Modified7 November 2013
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)C1=O
InChIInChI=1S/C28H34O8/c1-13(2)8-9-17-22(31)18(24(33)20(15(5)29)23(17)32)12-19-25(34)21(16(6)30)27(36)28(7,26(19)35)11-10-14(3)4/h8,10,31-33,35-36H,9,11-12H2,1-7H3
InChIKeyWWTZMJRKACJQRR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum drummondii (ncbitaxon:673924) root (BTO:0001188) PubMed (1800634)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
drummondin F (CHEBI:65811) has functional parent filicinic acid (CHEBI:71593)
drummondin F (CHEBI:65811) has role antibacterial agent (CHEBI:33282)
drummondin F (CHEBI:65811) has role metabolite (CHEBI:25212)
drummondin F (CHEBI:65811) is a aromatic ketone (CHEBI:76224)
drummondin F (CHEBI:65811) is a benzenetriol (CHEBI:22707)
drummondin F (CHEBI:65811) is a enol (CHEBI:33823)
drummondin F (CHEBI:65811) is a enone (CHEBI:51689)
drummondin F (CHEBI:65811) is a methyl ketone (CHEBI:51867)
IUPAC Name 
2-acetyl-6-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)benzyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
Synonym  Source
(+)-drummondin FChEBI
Registry NumbersSources
CAS:122127-73-5ChemIDplus
Citations