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CHEBI:4324 - daphnoretin

Default Structure
ChEBI IDCHEBI:4324
ChEBI Namedaphnoretin
Stars
DefinitionA member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3.
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H12O7
Net Charge0
Average Mass352.298
Monoisotopic Mass352.05830
SMILESCOc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O
InChIInChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
InChIKeyJRHMMVBOTXEHGJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
daphnoretin (CHEBI:4324) has functional parent coumarin (CHEBI:28794)
daphnoretin (CHEBI:4324) has role antineoplastic agent (CHEBI:35610)
daphnoretin (CHEBI:4324) has role antiviral agent (CHEBI:22587)
daphnoretin (CHEBI:4324) has role metabolite (CHEBI:25212)
daphnoretin (CHEBI:4324) is a aromatic ether (CHEBI:35618)
daphnoretin (CHEBI:4324) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7-hydroxy-6-methoxy-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-2-one
Synonym  Source
DaphnoretinKEGG COMPOUND
Manual XrefsDatabases
C00002463KNApSAcK
C09216KEGG COMPOUND
Registry NumbersSources
Reaxys:1299325Reaxys
CAS:2034-69-7ChemIDplus
CAS:2034-69-7KEGG COMPOUND
Citations