wedelolactone (CHEBI:10037)

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ChEBI Name	wedelolactone

ChEBI ID	CHEBI:10037

Definition	A 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.

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

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Formula

C16H10O7

Net Charge

Average Mass

314.24640

Monoisotopic Mass

314.04265

InChI

InChI=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

InChIKey

XQDCKJKKMFWXGB-UHFFFAOYSA-N

SMILES

COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21

Roles Classification
Biological Role(s):	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. 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.

Application(s):	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	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 δ-lactone (CHEBI:18946) 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)

IUPAC Name

1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one

Synonyms	Sources
1,8,9-trihydroxy-3-methoxycoumestan	ChEBI
Wedelolactone	KEGG COMPOUND

Last Modified

28 July 2014