CHEBI:68803 - mollicellin E

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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
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Formula C22H19ClO8
Net Charge 0
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:txidtxid155871) 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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
45523 ChemSpider
HMDB0033342 HMDB
View more database links
Registry Numbers Types Sources
19895971 Reaxys Registry Number Reaxys
68455-10-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
19663417 PubMed citation Europe PMC
Last Modified
07 November 2013