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CHEBI:65810 - drummondin E

Default Structure
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:
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 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