mollicellin N (CHEBI:68727)

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ChEBI Name	mollicellin N

ChEBI ID	CHEBI:68727

Definition	A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H18O8

Net Charge

Average Mass

398.36280

Monoisotopic Mass

398.10017

InChI

InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3

InChIKey

FMZRBSGCMFABIX-UHFFFAOYSA-N

SMILES

Cc1cc(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12

Metabolite of Species	Details
Chaetomium brasiliense (NCBI:txid155871)	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.

ChEBI Ontology
Outgoing	mollicellin N (CHEBI:68727) has role Chaetomium metabolite (CHEBI:76960) mollicellin N (CHEBI:68727) has role antineoplastic agent (CHEBI:35610) mollicellin N (CHEBI:68727) is a aldehyde (CHEBI:17478) mollicellin N (CHEBI:68727) is a depsidones (CHEBI:75939) mollicellin N (CHEBI:68727) is a organic heterotetracyclic compound (CHEBI:38163) mollicellin N (CHEBI:68727) is a polyphenol (CHEBI:26195)

IUPAC Name

8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde

Registry Number	Type	Source
19895969	Reaxys Registry Number	Reaxys

Citation	Type	Source
19663417	PubMed citation	Europe PMC

Last Modified

16 October 2013