CHEBI:6133 - khellin

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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.
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Formula C14H12O5
Net Charge 0
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
Metabolite of Species Details
Ammi visnaga (NCBI:txid1053409) Found in seed (BTO:0001226). See: PubMed
Ammi visnaga (NCBI:txid1053409) Found in leaf (BTO:0000713). See: PubMed
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.
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ChEBI Ontology
Outgoing 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
INNs Sources
khellin ChemIDplus
khelline ChemIDplus
khellinum ChemIDplus
quelina ChemIDplus
Synonym Source
4,9-dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one IUPAC
Manual Xrefs Databases
3313 DrugCentral
C00002431 KNApSAcK
C09010 KEGG COMPOUND
Khellin Wikipedia
LMPK13110001 LIPID MAPS
LSM-5863 LINCS
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Registry Numbers Types Sources
263185 Reaxys Registry Number Reaxys
82-02-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12880095 PubMed citation Europe PMC
19639121 PubMed citation Europe PMC
21069311 PubMed citation Europe PMC
24069365 PubMed citation Europe PMC
26681890 PubMed citation Europe PMC
27936681 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
Last Modified
19 June 2017