mollicellin B (CHEBI:68801)

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ChEBI Name	mollicellin B

ChEBI ID	CHEBI:68801

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 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

C21H18O7

Net Charge

Average Mass

382.36340

Monoisotopic Mass

382.10525

InChI

InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3

InChIKey

OMOOHFQAZTVBPK-UHFFFAOYSA-N

SMILES

Cc1cc(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 B (CHEBI:68801) has role Chaetomium metabolite (CHEBI:76960) mollicellin B (CHEBI:68801) has role antimalarial (CHEBI:38068) mollicellin B (CHEBI:68801) has role antineoplastic agent (CHEBI:35610) mollicellin B (CHEBI:68801) is a aldehyde (CHEBI:17478) mollicellin B (CHEBI:68801) is a depsidones (CHEBI:75939) mollicellin B (CHEBI:68801) is a organic heterotetracyclic compound (CHEBI:38163) mollicellin B (CHEBI:68801) is a phenols (CHEBI:33853)

IUPAC Name

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
19895965	Reaxys Registry Number	Reaxys

Citation	Type	Source
19663417	PubMed citation	Europe PMC

Last Modified

16 October 2013