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CHEBI:233255 - gardenin A

ChEBI IDCHEBI:233255
ChEBI Namegardenin A
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DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCOc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC
InChIInChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
InChIKeyMQBFFYQCZCKSBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gardenia gummifera (ncbitaxon:1357586) - PubMed (32181517)
Roles Classification
Applications:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
ChEBI Ontology
Outgoing Relation(s)
gardenin A (CHEBI:233255) has role anticonvulsant (CHEBI:35623)
gardenin A (CHEBI:233255) has role anxiolytic drug (CHEBI:35474)
gardenin A (CHEBI:233255) is a flavonoid (CHEBI:47916)
IUPAC Name 
5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12111493LIPID MAPS
Registry NumbersSources
CAS:21187-73-5SUBMITTER