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CHEBI:68722 - mollicellin H

ChEBI IDCHEBI:68722
ChEBI Namemollicellin H
Stars
DefinitionA member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by 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
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILES[H]C(=O)c1c(O)cc(C)c2c1Oc1cc(O)c(CC=C(C)C)c(C)c1OC2=O
InChIInChI=1S/C21H20O6/c1-10(2)5-6-13-12(4)19-17(8-16(13)24)26-20-14(9-22)15(23)7-11(3)18(20)21(25)27-19/h5,7-9,23-24H,6H2,1-4H3
InChIKeyFMQCQXQSBWELFR-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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
mollicellin H (CHEBI:68722) has role Chaetomium metabolite (CHEBI:76960)
mollicellin H (CHEBI:68722) has role antineoplastic agent (CHEBI:35610)
mollicellin H (CHEBI:68722) is a aldehyde (CHEBI:17478)
mollicellin H (CHEBI:68722) is a depsidones (CHEBI:75939)
mollicellin H (CHEBI:68722) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin H (CHEBI:68722) is a polyphenol (CHEBI:26195)
IUPAC Name 
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
134853ChemSpider
HMDB0033344HMDB
Registry NumbersSources
Reaxys:15754561Reaxys
Citations