CHEBI:9024 - santin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C18H16O7
Net Charge 0
Average Mass 344.31540
Monoisotopic Mass 344.090
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.
View more via ChEBI Ontology
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