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CHEBI:10037 - wedelolactone

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.
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.
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.
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
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)
IUPAC Name 
1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Synonyms  Source
WedelolactoneKEGG COMPOUND
1,8,9-trihydroxy-3-methoxycoumestanChEBI
Manual XrefsDatabases
C10541KEGG COMPOUND
WedelolactoneWikipedia
LMPK12090046LIPID MAPS
C00002585KNApSAcK
Registry NumbersSources
Reaxys:332398Reaxys
CAS:524-12-9KEGG COMPOUND
CAS:524-12-9ChemIDplus
Citations