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CHEBI:5970 - irilone

Default Structure
ChEBI IDCHEBI:5970
ChEBI Nameirilone
Stars
DefinitionA hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'.
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H10O6
Net Charge0
Average Mass298.250
Monoisotopic Mass298.04774
SMILESO=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2
InChIKeyNUGRQNBDTZWXTP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
ChEBI Ontology
Outgoing Relation(s)
irilone (CHEBI:5970) has role antineoplastic agent (CHEBI:35610)
irilone (CHEBI:5970) has role immunomodulator (CHEBI:50846)
irilone (CHEBI:5970) has role metabolite (CHEBI:25212)
irilone (CHEBI:5970) is a hydroxyisoflavone (CHEBI:38755)
irilone (CHEBI:5970) is a organic heterotricyclic compound (CHEBI:26979)
irilone (CHEBI:5970) is a oxacycle (CHEBI:38104)
Incoming Relation(s)
irilone-4'-O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside] (CHEBI:66084) has functional parent irilone (CHEBI:5970)
IUPAC Name 
9-hydroxy-7-(4-hydroxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-8-one
Synonyms  Source
5,4'-dihydroxy-6,7-methylenedioxyisoflavoneChEBI
9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g]-1-benzopyran-8-oneChEBI
IriloneKEGG COMPOUND
IroloneHMDB
Manual XrefsDatabases
C00002539KNApSAcK
C10467KEGG COMPOUND
HMDB0033820HMDB
IriloneWikipedia
LMPK12050383LIPID MAPS
Registry NumbersSources
Reaxys:1264266Reaxys
CAS:41653-81-0KEGG COMPOUND
Citations