scoparone (CHEBI:9055)

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ChEBI Name	scoparone

ChEBI ID	CHEBI:9055

Definition	A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities.

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

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Formula

C11H10O4

Net Charge

Average Mass

206.197

Monoisotopic Mass

206.05791

InChI

InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3

InChIKey

GUAFOGOEJLSQBT-UHFFFAOYSA-N

SMILES

COC1=C(OC)C=C2C=CC(=O)OC2=C1

Metabolite of Species	Details
Castanea crenata (NCBI:txid103480)	See: PubMed
Tagetes lucida (NCBI:txid169606)	Found in aerial part (BTO:0001658). See: PubMed
Artemisia capillaris (NCBI:txid265783)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood). immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. anti-allergic agent A drug used to treat allergic reactions.

ChEBI Ontology
Outgoing	scoparone (CHEBI:9055) has functional parent esculetin (CHEBI:490095) scoparone (CHEBI:9055) has role anti-allergic agent (CHEBI:50857) scoparone (CHEBI:9055) has role anti-inflammatory agent (CHEBI:67079) scoparone (CHEBI:9055) has role antihypertensive agent (CHEBI:35674) scoparone (CHEBI:9055) has role antilipemic drug (CHEBI:35679) scoparone (CHEBI:9055) has role immunosuppressive agent (CHEBI:35705) scoparone (CHEBI:9055) has role plant metabolite (CHEBI:76924) scoparone (CHEBI:9055) is a aromatic ether (CHEBI:35618) scoparone (CHEBI:9055) is a coumarins (CHEBI:23403)

IUPAC Name

6,7-dimethoxy-2H-chromen-2-one

Synonyms	Sources
6,7-dimethoxy-2H-1-benzopyran-2-one	IUPAC
6,7-dimethoxybenzopyran-2-one	ChemIDplus
6,7-dimethoxycoumarin	KEGG COMPOUND
6,7-dimethylesculetin	ChemIDplus
aesculetin dimethyl ether	ChemIDplus
escoparone	ChemIDplus
esculetin 6,7-dimethyl ether	ChEBI
esculetin dimethyl ether	ChemIDplus
O,O-dimethylesculetin	ChEBI
O-methylisoscopoletin	ChEBI
O-methylscopoletin	ChEBI
scoparon	ChemIDplus
scoparone	UniProt
scopoletin methyl ether	ChEBI
scopoletin monomethyl ether	ChEBI

Last Modified

27 September 2021