CHEBI:85125 - kinocoumarin

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ChEBI Name kinocoumarin
ChEBI ID CHEBI:85125
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H28O4
Net Charge 0
Average Mass 380.47670
Monoisotopic Mass 380.19876
InChI InChI=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
InChIKey OPQNNWVPHFUNEH-UHFFFAOYSA-N
SMILES CC(C)(C=C)C1=Cc2c(O)c3ccc(=O)oc3c(c2OC1(C)C)C(C)(C)C=C
Metabolite of Species Details
Centella asiatica (NCBI:txidtxid48106) See: MetaboLights Study
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 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 Xref Database
HMDB0039033 HMDB
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Last Modified
06 March 2015