scopoletin (CHEBI:17488)

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ChEBI Name	scopoletin

ChEBI ID	CHEBI:17488

Definition	A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6.

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

Secondary ChEBI IDs	CHEBI:26611, CHEBI:210840, CHEBI:15067, CHEBI:9057

Supplier Information

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Formula

C10H8O4

Net Charge

Average Mass

192.16810

Monoisotopic Mass

192.04226

InChI

InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3

InChIKey

RODXRVNMMDRFIK-UHFFFAOYSA-N

SMILES

COc1cc2ccc(=O)oc2cc1O

Metabolite of Species	Details
Rhododendron mucronulatum (NCBI:txid105903)	Found in stem (BTO:0001300). See: PubMed
Cupania cinerea (NCBI:txid298314)	Found in bark (BTO:0001301). Crude dichloromethane extract of dried and powdered bark See: PubMed
Rhododendron ferrugineum (NCBI:txid49622)	Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves 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. plant growth regulator A chemical, natural or artificial, that can affect the rate of growth of a plant.

ChEBI Ontology
Outgoing	scopoletin (CHEBI:17488) has functional parent umbelliferone (CHEBI:27510) scopoletin (CHEBI:17488) has role plant growth regulator (CHEBI:26155) scopoletin (CHEBI:17488) has role plant metabolite (CHEBI:76924) scopoletin (CHEBI:17488) is a hydroxycoumarin (CHEBI:37912)

Incoming	guaiacylglycerol β-scopoletinyl ether (CHEBI:91201) has functional parent scopoletin (CHEBI:17488) scopolin (CHEBI:16065) has functional parent scopoletin (CHEBI:17488)

IUPAC Name

7-hydroxy-6-methoxy-2H-chromen-2-one

Synonyms	Sources
6-Methoxy-7-hydroxycoumarin	ChemIDplus
6-Methylesculetin	ChemIDplus
6-O-Methylesculetin	ChemIDplus
7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one	ChemIDplus
7-hydroxy-6-methoxycoumarin	ChEBI
Scopoletin	KEGG COMPOUND
scopoletin	UniProt

Last Modified

14 July 2016