mollicellin M (CHEBI:68726)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	mollicellin M

ChEBI ID	CHEBI:68726

Definition	A member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. 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

C21H17ClO7

Net Charge

Average Mass

416.80800

Monoisotopic Mass

416.06628

InChI

InChI=1S/C21H17ClO7/c1-8-15-19(10(7-23)17(25)16(8)22)27-13-5-12-14(9(2)18(13)28-20(15)26)11(24)6-21(3,4)29-12/h5,7,25H,6H2,1-4H3

InChIKey

LBLDXSZDCOFIAT-UHFFFAOYSA-N

SMILES

Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12

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 M (CHEBI:68726) has role Chaetomium metabolite (CHEBI:76960) mollicellin M (CHEBI:68726) has role antimalarial (CHEBI:38068) mollicellin M (CHEBI:68726) has role antineoplastic agent (CHEBI:35610) mollicellin M (CHEBI:68726) is a aldehyde (CHEBI:17478) mollicellin M (CHEBI:68726) is a depsidones (CHEBI:75939) mollicellin M (CHEBI:68726) is a organic heterotetracyclic compound (CHEBI:38163) mollicellin M (CHEBI:68726) is a organochlorine compound (CHEBI:36683) mollicellin M (CHEBI:68726) is a phenols (CHEBI:33853)

IUPAC Name

9-chloro-10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde

Registry Number	Type	Source
19895968	Reaxys Registry Number	Reaxys

Citation	Type	Source
19663417	PubMed citation	Europe PMC

Last Modified

16 October 2013