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CHEBI:68723 - mollicellin J

ChEBI IDCHEBI:68723
ChEBI Namemollicellin J
Stars
DefinitionA member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
Last Modified16 October 2013
DownloadsMolfile
FormulaC21H19ClO6
Net Charge0
Average Mass402.830
Monoisotopic Mass402.08702
SMILES[H]C(=O)c1c(O)c(Cl)c(C)c2c1Oc1cc(O)c(CC=C(C)C)c(C)c1OC2=O
InChIInChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3
InChIKeyNKSQSZYYPUIJDD-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.
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.
ChEBI Ontology
Outgoing Relation(s)
mollicellin J (CHEBI:68723) has role antimalarial (CHEBI:38068)
mollicellin J (CHEBI:68723) has role antineoplastic agent (CHEBI:35610)
mollicellin J (CHEBI:68723) is a aldehyde (CHEBI:17478)
mollicellin J (CHEBI:68723) is a depsidones (CHEBI:75939)
mollicellin J (CHEBI:68723) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin J (CHEBI:68723) is a organochlorine compound (CHEBI:36683)
mollicellin J (CHEBI:68723) is a polyphenol (CHEBI:26195)
IUPAC Name 
2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual XrefsDatabases
24660781ChemSpider
Registry NumbersSources
Reaxys:15754562Reaxys
Citations