CHEBI:17488 - scopoletin

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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 0
Average Mass 192.16810
Monoisotopic Mass 192.042
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
C00002499 KNApSAcK
C01752 KEGG COMPOUND
LSM-6694 LINCS
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Registry Numbers Types Sources
156296 Reaxys Registry Number Reaxys
92-61-5 CAS Registry Number KEGG COMPOUND
92-61-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20686865 PubMed citation Europe PMC
21078410 PubMed citation Europe PMC
21163341 PubMed citation Europe PMC
21383663 PubMed citation Europe PMC
21417386 PubMed citation Europe PMC
21544717 PubMed citation Europe PMC
21598418 PubMed citation Europe PMC
21604276 PubMed citation Europe PMC
21605187 PubMed citation Europe PMC
21657075 PubMed citation Europe PMC
21751840 PubMed citation Europe PMC
Last Modified
14 July 2016