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CHEBI:65809 - drummondin D

ChEBI IDCHEBI:65809
ChEBI Namedrummondin D
Stars
DefinitionA chromenol that is a derivative of filicinic acid and is isolated from the stems and leaves of Hypericum drummondii. It has been found to exhibit antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis.
Last Modified7 November 2013
DownloadsMolfile
FormulaC28H32O8
Net Charge0
Average Mass496.556
Monoisotopic Mass496.20972
SMILESCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O
InChIInChI=1S/C28H32O8/c1-13(2)8-11-28(7)25(34)18(23(33)20(15(4)30)26(28)35)12-17-21(31)16-9-10-27(5,6)36-24(16)19(14(3)29)22(17)32/h8-10,31-32,34-35H,11-12H2,1-7H3
InChIKeyVQJQJCKVOGLTOH-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 D (CHEBI:65809) has functional parent filicinic acid (CHEBI:71593)
drummondin D (CHEBI:65809) has role antibacterial agent (CHEBI:33282)
drummondin D (CHEBI:65809) has role metabolite (CHEBI:25212)
drummondin D (CHEBI:65809) is a aromatic ketone (CHEBI:76224)
drummondin D (CHEBI:65809) is a chromenol (CHEBI:39436)
drummondin D (CHEBI:65809) is a enol (CHEBI:33823)
drummondin D (CHEBI:65809) is a enone (CHEBI:51689)
drummondin D (CHEBI:65809) is a methyl ketone (CHEBI:51867)
IUPAC Name 
2-acetyl-6-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-6-yl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
Synonym  Source
(+)-drummondin DChEBI
Registry NumbersSources
CAS:138169-52-5ChemIDplus
Citations