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CHEBI:68802 - mollicellin C

ChEBI IDCHEBI:68802
ChEBI Namemollicellin C
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 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities.
Last Modified7 November 2013
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILES[H]C(=O)c1c(O)cc(C)c2c1Oc1c(C)c(C(=O)C=C(C)C)c(OC)c(O)c1OC2=O
InChIInChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3
InChIKeyRPSLZGPKLQLZGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium brasiliense (ncbitaxon:155871) - PubMed (19663417)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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:
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 C (CHEBI:68802) has role Chaetomium metabolite (CHEBI:76960)
mollicellin C (CHEBI:68802) has role antimalarial (CHEBI:38068)
mollicellin C (CHEBI:68802) has role antineoplastic agent (CHEBI:35610)
mollicellin C (CHEBI:68802) is a aldehyde (CHEBI:17478)
mollicellin C (CHEBI:68802) is a aromatic ether (CHEBI:35618)
mollicellin C (CHEBI:68802) is a aromatic ketone (CHEBI:76224)
mollicellin C (CHEBI:68802) is a depsidones (CHEBI:75939)
mollicellin C (CHEBI:68802) is a enone (CHEBI:51689)
mollicellin C (CHEBI:68802) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin C (CHEBI:68802) is a polyphenol (CHEBI:26195)
IUPAC Name 
3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual XrefsDatabases
45522ChemSpider
HMDB0033341HMDB
Registry NumbersSources
Reaxys:19895967Reaxys
CAS:68436-82-8ChemIDplus
Citations