CHEBI:9159 - sinensetin

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ChEBI Name sinensetin
ChEBI ID CHEBI:9159
Definition A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB8237507, eMolecules:1936007, ZINC000001531698
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Sinensetin is an O-methylated flavone. It can be found in Orthosiphon stamineus and in orange oil.
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Formula C20H20O7
Net Charge 0
Average Mass 372.36860
Monoisotopic Mass 372.12090
InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
InChIKey LKMNXYDUQXAUCZ-UHFFFAOYSA-N
SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
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.
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ChEBI Ontology
Outgoing sinensetin (CHEBI:9159) has functional parent flavone (CHEBI:42491)
sinensetin (CHEBI:9159) has role plant metabolite (CHEBI:76924)
sinensetin (CHEBI:9159) is a pentamethoxyflavone (CHEBI:38724)
IUPAC Name
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Synonyms Sources
5,6,7,3',4'-Pentamethoxyflavone KEGG COMPOUND
Pedalitin permethyl ether LIPID MAPS
Manual Xrefs Databases
C00013596 KNApSAcK
C10186 KEGG COMPOUND
HMDB0036633 HMDB
LMPK12111250 LIPID MAPS
LSM-3903 LINCS
Sinensetin Wikipedia
View more database links
Registry Numbers Types Sources
2306-27-6 CAS Registry Number ChemIDplus
345748 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
25 February 2016