irilone (CHEBI:5970)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	irilone

ChEBI ID	CHEBI:5970

Definition	A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'.

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

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C16H10O6

Net Charge

Average Mass

298.24700

Monoisotopic Mass

298.04774

InChI

InChI=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

InChIKey

NUGRQNBDTZWXTP-UHFFFAOYSA-N

SMILES

Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O

Roles Classification
Biological Role(s):	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.

Application(s):	immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	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	Sources
5,4'-dihydroxy-6,7-methylenedioxyisoflavone	ChEBI
9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g]-1-benzopyran-8-one	ChEBI
Irilone	KEGG COMPOUND
Irolone	HMDB

Citations

Last Modified

28 July 2014