1-isomangostin (CHEBI:636)

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ChEBI Name	1-isomangostin

ChEBI ID	CHEBI:636

Definition	An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one substituted by hydroxy groups at positions 5 and 9, a methoxy group at position 10, two methyl groups at position 2, a prenyl group at position 11 and an oxo group at position 12.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C24H26O6

Net Charge

Average Mass

410.45960

Monoisotopic Mass

410.17294

InChI

InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3

InChIKey

JUHXHWKPHWGZKL-UHFFFAOYSA-N

SMILES

COc1c(O)cc2oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c2c1CC=C(C)C

Metabolite of Species	Details
Garcinia mangostana (NCBI:txid58228)	Found in pericarp (BTO:0001017). See: PubMed

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	1-isomangostin (CHEBI:636) has role plant metabolite (CHEBI:76924) 1-isomangostin (CHEBI:636) is a cyclic ether (CHEBI:37407) 1-isomangostin (CHEBI:636) is a cyclic ketone (CHEBI:3992) 1-isomangostin (CHEBI:636) is a organic heterotetracyclic compound (CHEBI:38163) 1-isomangostin (CHEBI:636) is a phenols (CHEBI:33853)

IUPAC Name

5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one

Citation	Type	Source
24555285	PubMed citation	Europe PMC

Last Modified

02 October 2014