kinocoumarin (CHEBI:85125)

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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

Download	Molfile XML SDF

Formula

C24H28O4

Net Charge

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:txid48106)	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.

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

Last Modified

06 March 2015