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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

ChEBI Ontology
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