mollicellin E (CHEBI:68803)

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ChEBI Name	mollicellin E

ChEBI ID	CHEBI:68803

Definition	A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C22H19ClO8

Net Charge

Average Mass

446.83400

Monoisotopic Mass

446.07685

InChI

InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3

InChIKey

JTGLZOMMRQOKBM-UHFFFAOYSA-N

SMILES

COc1c(O)c2OC(=O)c3c(C)c(Cl)c(O)c(C=O)c3Oc2c(C)c1C(=O)C=C(C)C

Metabolite of Species	Details
Chaetomium brasiliense (NCBI:txid155871)	See: PubMed

Roles Classification
Biological Role(s):	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. (via depsidones )

Application(s):	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	mollicellin E (CHEBI:68803) has role Chaetomium metabolite (CHEBI:76960) mollicellin E (CHEBI:68803) has role antimalarial (CHEBI:38068) mollicellin E (CHEBI:68803) has role antineoplastic agent (CHEBI:35610) mollicellin E (CHEBI:68803) is a aldehyde (CHEBI:17478) mollicellin E (CHEBI:68803) is a aromatic ether (CHEBI:35618) mollicellin E (CHEBI:68803) is a aromatic ketone (CHEBI:76224) mollicellin E (CHEBI:68803) is a depsidones (CHEBI:75939) mollicellin E (CHEBI:68803) is a enone (CHEBI:51689) mollicellin E (CHEBI:68803) is a organic heterotricyclic compound (CHEBI:26979) mollicellin E (CHEBI:68803) is a organochlorine compound (CHEBI:36683) mollicellin E (CHEBI:68803) is a polyphenol (CHEBI:26195)

IUPAC Name

2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde

Citation	Type	Source
19663417	PubMed citation	Europe PMC

Last Modified

07 November 2013