khellin (CHEBI:6133)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	khellin

ChEBI ID	CHEBI:6133

Definition	A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.

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

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C14H12O5

Net Charge

Average Mass

260.243

Monoisotopic Mass

260.06847

InChI

InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3

InChIKey

HSMPDPBYAYSOBC-UHFFFAOYSA-N

SMILES

C12=C(C(=C3OC=CC3=C1OC)OC)OC(C)=CC2=O

Roles Classification
Application(s):	vasodilator agent A drug used to cause dilation of the blood vessels. bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. anti-asthmatic agent Any compound that has anti-asthmatic effects. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

ChEBI Ontology
Outgoing	khellin (CHEBI:6133) has functional parent 5H-furo[3,2-g]chromen-5-one (CHEBI:173072) khellin (CHEBI:6133) has role anti-asthmatic agent (CHEBI:65023) khellin (CHEBI:6133) has role bronchodilator agent (CHEBI:35523) khellin (CHEBI:6133) has role cardiovascular drug (CHEBI:35554) khellin (CHEBI:6133) has role vasodilator agent (CHEBI:35620) khellin (CHEBI:6133) is a furanochromone (CHEBI:137443) khellin (CHEBI:6133) is a organic heterotricyclic compound (CHEBI:26979) khellin (CHEBI:6133) is a oxacycle (CHEBI:38104)

IUPAC Name

4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

Synonym	Source
4,9-dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one	IUPAC

Last Modified

24 May 2021