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CHEBI:10037 - wedelolactone

Default Structure
ChEBI IDCHEBI:10037
ChEBI Namewedelolactone
Stars
DefinitionA member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3.
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H10O7
Net Charge0
Average Mass314.249
Monoisotopic Mass314.04265
SMILESCOc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21
InChIInChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
InChIKeyXQDCKJKKMFWXGB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
wedelolactone (CHEBI:10037) has functional parent coumestan (CHEBI:72578)
wedelolactone (CHEBI:10037) has role antineoplastic agent (CHEBI:35610)
wedelolactone (CHEBI:10037) has role apoptosis inducer (CHEBI:68495)
wedelolactone (CHEBI:10037) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750)
wedelolactone (CHEBI:10037) has role hepatoprotective agent (CHEBI:62868)
wedelolactone (CHEBI:10037) has role metabolite (CHEBI:25212)
wedelolactone (CHEBI:10037) is a aromatic ether (CHEBI:35618)
wedelolactone (CHEBI:10037) is a coumestans (CHEBI:72577)
wedelolactone (CHEBI:10037) is a polyphenol (CHEBI:26195)
wedelolactone (CHEBI:10037) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
wedelolactone(1-) (CHEBI:747551) is conjugate base of wedelolactone (CHEBI:10037)
IUPAC Name 
1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Synonyms  Source
1,8,9-trihydroxy-3-methoxycoumestanChEBI
WedelolactoneKEGG COMPOUND
Manual XrefsDatabases
C00002585KNApSAcK
C10541KEGG COMPOUND
LMPK12090046LIPID MAPS
WedelolactoneWikipedia
Registry NumbersSources
Reaxys:332398Reaxys
CAS:524-12-9ChemIDplus
CAS:524-12-9KEGG COMPOUND
Citations