CHEBI:68724 - mollicellin K

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ChEBI Name mollicellin K
ChEBI ID CHEBI:68724
Definition A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H18O7
Net Charge 0
Average Mass 382.36340
Monoisotopic Mass 382.10525
InChI InChI=1S/C21H18O7/c1-9(2)5-14(24)18-11(4)19-16(7-15(18)25)27-20-12(8-22)13(23)6-10(3)17(20)21(26)28-19/h5-8,23,25H,1-4H3
InChIKey GRJLKDCRKHDXSZ-UHFFFAOYSA-N
SMILES CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Metabolite of Species Details
Chaetomium brasiliense (NCBI:txidtxid155871) See: PubMed
Roles Classification
Biological Role(s): Chaetomium metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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.
antimycobacterial drug
A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
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.
antimycobacterial drug
A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mollicellin K (CHEBI:68724) has role Chaetomium metabolite (CHEBI:76960)
mollicellin K (CHEBI:68724) has role antimalarial (CHEBI:38068)
mollicellin K (CHEBI:68724) has role antimycobacterial drug (CHEBI:64912)
mollicellin K (CHEBI:68724) has role antineoplastic agent (CHEBI:35610)
mollicellin K (CHEBI:68724) is a aldehyde (CHEBI:17478)
mollicellin K (CHEBI:68724) is a aromatic ketone (CHEBI:76224)
mollicellin K (CHEBI:68724) is a depsidones (CHEBI:75939)
mollicellin K (CHEBI:68724) is a enone (CHEBI:51689)
mollicellin K (CHEBI:68724) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin K (CHEBI:68724) is a polyphenol (CHEBI:26195)
IUPAC Name
3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual Xref Database
24676109 ChemSpider
View more database links
Registry Number Type Source
19895966 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19663417 PubMed citation Europe PMC
Last Modified
07 November 2013