EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68724 - mollicellin K

ChEBI IDCHEBI:68724
ChEBI Namemollicellin K
Stars
DefinitionA member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities.
Last Modified7 November 2013
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILES[H]C(=O)c1c(O)cc(C)c2c1Oc1cc(O)c(C(=O)C=C(C)C)c(C)c1OC2=O
InChIInChI=1S/C21H18O7/c1-9(2)5-14(24)18-11(4)19-16(7-15(18)25)27-20-12(8-22)13(23)6-10(3)17(20)21(26)28-19/h5-8,23,25H,1-4H3
InChIKeyGRJLKDCRKHDXSZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium brasiliense (ncbitaxon:155871) - PubMed (19663417)
Roles Classification
Biological Roles:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
ChEBI Ontology
Outgoing Relation(s)
mollicellin K (CHEBI:68724) has role Chaetomium metabolite (CHEBI:76960)
mollicellin K (CHEBI:68724) has role antimalarial (CHEBI:38068)
mollicellin K (CHEBI:68724) has role antimycobacterial drug (CHEBI:64912)
mollicellin K (CHEBI:68724) has role antineoplastic agent (CHEBI:35610)
mollicellin K (CHEBI:68724) is a aldehyde (CHEBI:17478)
mollicellin K (CHEBI:68724) is a aromatic ketone (CHEBI:76224)
mollicellin K (CHEBI:68724) is a depsidones (CHEBI:75939)
mollicellin K (CHEBI:68724) is a enone (CHEBI:51689)
mollicellin K (CHEBI:68724) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin K (CHEBI:68724) is a polyphenol (CHEBI:26195)
IUPAC Name 
3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual XrefsDatabases
24676109ChemSpider
Registry NumbersSources
Reaxys:19895966Reaxys
Citations