mollicellin N (CHEBI:68727)

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CHEBI:68727 - mollicellin N

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ChEBI ID	CHEBI:68727
ChEBI Name	mollicellin N
Stars
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.
Last Modified	16 October 2013
Downloads	Molfile

Formula	C21H18O8
Net Charge	0
Average Mass	398.367
Monoisotopic Mass	398.10017
SMILES	[H]C(=O)c1c(O)cc(C)c2c1Oc1c(C)c3c(c(O)c1OC2=O)OC(C)(C)CC3=O
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

Species of Metabolite	Component	Source	Comments
Chaetomium brasiliense (ncbitaxon:155871)	-	PubMed (19663417)

Roles Classification

Biological Roles:	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.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
24674002	ChemSpider

Registry Numbers	Sources
Reaxys:19895969	Reaxys

Citations