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CHEBI:65810 - drummondin E

ChEBI IDCHEBI:65810
ChEBI Namedrummondin E
Stars
DefinitionA member of the class of resorcinols 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(OCC=C(C)C)cc(O)c(C(C)=O)c2O)C1=O
InChIInChI=1S/C28H34O8/c1-14(2)8-10-28(7)26(34)19(25(33)23(17(6)30)27(28)35)12-18-21(36-11-9-15(3)4)13-20(31)22(16(5)29)24(18)32/h8-9,13,31-32,34-35H,10-12H2,1-7H3
InChIKeyLACABBHUBUCHAU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum drummondii (ncbitaxon:673924) root (BTO:0001188) PubMed (1800634)
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
drummondin E (CHEBI:65810) has functional parent filicinic acid (CHEBI:71593)
drummondin E (CHEBI:65810) has role antibacterial agent (CHEBI:33282)
drummondin E (CHEBI:65810) has role metabolite (CHEBI:25212)
drummondin E (CHEBI:65810) is a aromatic ether (CHEBI:35618)
drummondin E (CHEBI:65810) is a aromatic ketone (CHEBI:76224)
drummondin E (CHEBI:65810) is a enol (CHEBI:33823)
drummondin E (CHEBI:65810) is a enone (CHEBI:51689)
drummondin E (CHEBI:65810) is a methyl ketone (CHEBI:51867)
drummondin E (CHEBI:65810) is a resorcinols (CHEBI:33572)
IUPAC Name 
2-acetyl-6-{3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]benzyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
Synonym  Source
(+)-drummondin EChEBI
Registry NumbersSources
CAS:138169-54-7ChemIDplus
Citations