CHEBI:68722 - mollicellin H

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ChEBI Name mollicellin H
ChEBI ID CHEBI:68722
Definition A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O6
Net Charge 0
Average Mass 368.37990
Monoisotopic Mass 368.12599
InChI InChI=1S/C21H20O6/c1-10(2)5-6-13-12(4)19-17(8-16(13)24)26-20-14(9-22)15(23)7-11(3)18(20)21(25)27-19/h5,7-9,23-24H,6H2,1-4H3
InChIKey FMQCQXQSBWELFR-UHFFFAOYSA-N
SMILES CC(C)=CCc1c(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.
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): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mollicellin H (CHEBI:68722) has role Chaetomium metabolite (CHEBI:76960)
mollicellin H (CHEBI:68722) has role antineoplastic agent (CHEBI:35610)
mollicellin H (CHEBI:68722) is a aldehyde (CHEBI:17478)
mollicellin H (CHEBI:68722) is a depsidones (CHEBI:75939)
mollicellin H (CHEBI:68722) is a organic heterotricyclic compound (CHEBI:26979)
mollicellin H (CHEBI:68722) is a polyphenol (CHEBI:26195)
IUPAC Name
3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Manual Xrefs Databases
134853 ChemSpider
HMDB0033344 HMDB
View more database links
Registry Number Type Source
15754561 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19663417 PubMed citation Europe PMC
Last Modified
16 October 2013