7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid

ChEBI ID	CHEBI:68709

ChEBI ASCII Name	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid

Definition	An organic heterotricyclic compound that is 4,10-dihydro-1H,3H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola it exhibits inhibitory activity against metallo-β-lactamases.

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

Secondary ChEBI IDs	CHEBI:39503

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O8

Net Charge

Average Mass

322.26690

Monoisotopic Mass

322.06887

InChI

InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)

InChIKey

RSFJMLCZHPZXCW-UHFFFAOYSA-N

SMILES

COC1OC(C)Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12

Metabolite of Species	Details
Chaetomium funicola (NCBI:txid79816)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	EC 3.5.2.6 (beta-lactamase) inhibitor An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6). Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.

ChEBI Ontology
Outgoing	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) has role Chaetomium metabolite (CHEBI:76960) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) is a catechols (CHEBI:33566) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) is a cyclic ether (CHEBI:37407) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) is a cyclic ketone (CHEBI:3992) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) is a monocarboxylic acid (CHEBI:25384) 7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid (CHEBI:68709) is a organic heterotricyclic compound (CHEBI:26979)

IUPAC Name

7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid

Synonym	Source
SB236050	ChEBI

Registry Number	Type	Source
9580813	Reaxys Registry Number	Reaxys

Last Modified

13 January 2014