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CHEBI:65812 - isodrummondin D

Default Structure
ChEBI IDCHEBI:65812
ChEBI Nameisodrummondin 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)c(C(C)=O)c(O)c3c2OC(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)12-17-22(32)19(14(3)29)21(31)16-9-10-27(5,6)36-24(16)17/h8-10,31-32,34-35H,11-12H2,1-7H3
InChIKeyQDEXSBYEIYRPIT-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)
isodrummondin D (CHEBI:65812) has functional parent filicinic acid (CHEBI:71593)
isodrummondin D (CHEBI:65812) has role antibacterial agent (CHEBI:33282)
isodrummondin D (CHEBI:65812) has role metabolite (CHEBI:25212)
isodrummondin D (CHEBI:65812) is a aromatic ketone (CHEBI:76224)
isodrummondin D (CHEBI:65812) is a chromenol (CHEBI:39436)
isodrummondin D (CHEBI:65812) is a enol (CHEBI:33823)
isodrummondin D (CHEBI:65812) is a enone (CHEBI:51689)
isodrummondin D (CHEBI:65812) is a methyl ketone (CHEBI:51867)
IUPAC Name 
2-acetyl-6-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
Synonym  Source
(+)-isodrummondin DChEBI
Registry NumbersSources
CAS:138169-53-6ChemIDplus
Citations