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CHEBI:68721 - mollicellin F

ChEBI IDCHEBI:68721
ChEBI Namemollicellin F
Stars
DefinitionA member of the class of depsidones that is 3,4-dihydro-H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by a chloro group at position 9, hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity.
Last Modified16 October 2013
DownloadsMolfile
FormulaC21H17ClO8
Net Charge0
Average Mass432.812
Monoisotopic Mass432.06120
SMILES[H]C(=O)c1c(O)c(Cl)c(C)c2c1Oc1c(C)c3c(c(O)c1OC2=O)OC(C)(C)CC3=O
InChIInChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3
InChIKeyBUWVABSQGVRXOI-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 F (CHEBI:68721) has role Chaetomium metabolite (CHEBI:76960)
mollicellin F (CHEBI:68721) has role antineoplastic agent (CHEBI:35610)
mollicellin F (CHEBI:68721) is a aldehyde (CHEBI:17478)
mollicellin F (CHEBI:68721) is a depsidones (CHEBI:75939)
mollicellin F (CHEBI:68721) is a organic heterotetracyclic compound (CHEBI:38163)
mollicellin F (CHEBI:68721) is a organochlorine compound (CHEBI:36683)
mollicellin F (CHEBI:68721) is a polyphenol (CHEBI:26195)
IUPAC Name 
9-chloro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde
Manual XrefsDatabases
134713ChemSpider
HMDB0033338HMDB
Registry NumbersSources
Reaxys:19895970Reaxys
CAS:68455-12-9Reaxys
Citations