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CHEBI:85125 - kinocoumarin

ChEBI IDCHEBI:85125
ChEBI Namekinocoumarin
Stars
DefinitionA member of the class of coumarins that is 2H,8H-pyrano[3,2-g]chromen-2-one substituted by geminal methyl groups at position 8, a hydroxy group at position 5, and a 2-methylbut-3-en-2-yl group at positions 7 and 10.
Last Modified6 March 2015
Submitternamrata
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILESC=CC(C)(C)C1=Cc2c(c(C(C)(C)C=C)c3oc(=O)ccc3c2O)OC1(C)C
InChIInChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3
InChIKeyOPQNNWVPHFUNEH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
kinocoumarin (CHEBI:85125) has role plant metabolite (CHEBI:76924)
kinocoumarin (CHEBI:85125) is a coumarins (CHEBI:23403)
kinocoumarin (CHEBI:85125) is a organic heterotricyclic compound (CHEBI:26979)
kinocoumarin (CHEBI:85125) is a phenols (CHEBI:33853)
IUPAC Name 
5-hydroxy-8,8-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-2H,8H-pyrano[3,2-g]chromen-2-one
Manual XrefsDatabases
HMDB0039033HMDB