CHEBI:9024 - santin

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ChEBI Name santin
ChEBI ID CHEBI:9024
Definition A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H16O7
Net Charge 0
Average Mass 344.31540
Monoisotopic Mass 344.08960
InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
InChIKey DWZAJFZEYZIHPO-UHFFFAOYSA-N
SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
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 santin (CHEBI:9024) has functional parent flavone (CHEBI:42491)
santin (CHEBI:9024) has role plant metabolite (CHEBI:76924)
santin (CHEBI:9024) is a dihydroxyflavone (CHEBI:38686)
santin (CHEBI:9024) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name
5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonym Source
5,7-dihydroxy-3,6,4'-trimethoxy flavone ChEBI
Manual Xrefs Databases
C00001096 KNApSAcK
C10180 KEGG COMPOUND
LMPK12112861 LIPID MAPS
Santin_(flavonol) Wikipedia
View more database links
Registry Numbers Types Sources
1355698 Reaxys Registry Number Reaxys
27782-63-4 CAS Registry Number KEGG COMPOUND
Last Modified
05 June 2015