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CHEBI:68801 - mollicellin B

ChEBI IDCHEBI:68801
ChEBI Namemollicellin B
Stars
DefinitionA member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities.
Last Modified16 October 2013
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILES[H]C(=O)c1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)C(=O)CC(C)(C)O3
InChIInChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3
InChIKeyOMOOHFQAZTVBPK-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.
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
ChEBI Ontology
Outgoing Relation(s)
mollicellin B (CHEBI:68801) has role Chaetomium metabolite (CHEBI:76960)
mollicellin B (CHEBI:68801) has role antimalarial (CHEBI:38068)
mollicellin B (CHEBI:68801) has role antineoplastic agent (CHEBI:35610)
mollicellin B (CHEBI:68801) is a aldehyde (CHEBI:17478)
mollicellin B (CHEBI:68801) is a depsidones (CHEBI:75939)
mollicellin B (CHEBI:68801) is a organic heterotetracyclic compound (CHEBI:38163)
mollicellin B (CHEBI:68801) is a phenols (CHEBI:33853)
IUPAC Name 
10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde
Manual XrefsDatabases
134711ChemSpider
HMDB0033340HMDB
Registry NumbersSources
Reaxys:19895965Reaxys
Citations