CHEBI:4324 - daphnoretin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name daphnoretin
ChEBI ID CHEBI:4324
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H12O7
Net Charge 0
Average Mass 352.29440
Monoisotopic Mass 352.058
InChI InChI=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
InChIKey JRHMMVBOTXEHGJ-UHFFFAOYSA-N
SMILES COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Daphnoretin KEGG COMPOUND
Manual Xrefs Databases
C00002463 KNApSAcK
C09216 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1299325 Reaxys Registry Number Reaxys
2034-69-7 CAS Registry Number KEGG COMPOUND
2034-69-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19610034 PubMed citation Europe PMC
22231496 PubMed citation Europe PMC
22570931 PubMed citation Europe PMC
23462531 PubMed citation Europe PMC
7774678 PubMed citation Europe PMC
8216237 PubMed citation Europe PMC
IND44431214 Agricola citation Europe PMC
Last Modified
28 July 2014