CHEBI:66351 - variecolorquinone B

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name variecolorquinone B ChEBI ID CHEBI:66351 Definition An aromatic ester that is methyl 2-hydroxy-4-methylbenzoate attached to a (6-methoxy-1,4-benzoquinon-2-yl)methyl group at position 6. Isolated from Aspergillus variecolor, it exhibits cytotoxic activity. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H16O6 Net Charge 0 Average Mass 316.306 Monoisotopic Mass 316.09469 InChI InChI=1S/C17H16O6/c1-9-4-10(15(13(19)5-9)17(21)23-3)6-11-7-12(18)8-14(22-2)16(11)20/h4-5,7-8,19H,6H2,1-3H3 InChIKey CGSNFYSSVZXFAX-UHFFFAOYSA-N SMILES C=1(C(=C(CC=2C(C(=CC(C2)=O)OC)=O)C=C(C)C1)C(OC)=O)O Metabolite of Species Details Aspergillus var.ecolor (NCBI:txid469282) of strain B 17 See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing variecolorquinone B (CHEBI:66351) has role Aspergillus metabolite (CHEBI:76956) variecolorquinone B (CHEBI:66351) has role antineoplastic agent (CHEBI:35610) variecolorquinone B (CHEBI:66351) is a 1,4-benzoquinones (CHEBI:132124) variecolorquinone B (CHEBI:66351) is a aromatic ester (CHEBI:62732) variecolorquinone B (CHEBI:66351) is a methyl ester (CHEBI:25248) variecolorquinone B (CHEBI:66351) is a phenols (CHEBI:33853) IUPAC Name methyl 2-hydroxy-6-[(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4-methylbenzoate Citation Type Source 17965475 PubMed citation Europe PMC Last Modified 03 June 2016