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CHEBI:68725 - mollicellin L

ChEBI IDCHEBI:68725
ChEBI Namemollicellin L
Stars
DefinitionA member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 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 and cytotoxic activities.
Last Modified7 November 2013
DownloadsMolfile
FormulaC22H20O7
Net Charge0
Average Mass396.395
Monoisotopic Mass396.12090
SMILES[H]C(=O)c1c(O)cc(C)c2c1Oc1cc(OC)c(C(=O)C=C(C)C)c(C)c1OC2=O
InChIInChI=1S/C22H20O7/c1-10(2)6-15(25)19-12(4)20-17(8-16(19)27-5)28-21-13(9-23)14(24)7-11(3)18(21)22(26)29-20/h6-9,24H,1-5H3
InChIKeySEGGMMXRZJRNCN-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:
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 L (CHEBI:68725) has role Chaetomium metabolite (CHEBI:76960)
mollicellin L (CHEBI:68725) has role antimalarial (CHEBI:38068)
mollicellin L (CHEBI:68725) has role antineoplastic agent (CHEBI:35610)
mollicellin L (CHEBI:68725) is a aldehyde (CHEBI:17478)
mollicellin L (CHEBI:68725) is a aromatic ether (CHEBI:35618)
mollicellin L (CHEBI:68725) is a aromatic ketone (CHEBI:76224)
mollicellin L (CHEBI:68725) is a depsidones (CHEBI:75939)
mollicellin L (CHEBI:68725) is a enone (CHEBI:51689)
mollicellin L (CHEBI:68725) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin L (CHEBI:68725) is a phenols (CHEBI:33853)
IUPAC Name 
3-hydroxy-7-methoxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual XrefsDatabases
24654422ChemSpider
Registry NumbersSources
Reaxys:19895964Reaxys
Citations