CHEBI:636 - 1-isomangostin

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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 ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C24H26O6
Net Charge 0
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
C00002958 KNApSAcK
C10071 KEGG COMPOUND
HMDB0029981 HMDB
View more database links
Registry Numbers Types Sources
1631615 Reaxys Registry Number Reaxys
19275-44-6 CAS Registry Number KEGG COMPOUND
Citation
Fu M, Qiu SX, Xu Y, Wu J, Chen Y, Yu Y, Xiao G (2013)
A new xanthone from the pericarp of Garcinia mangostana.
Natural product communications 8, 1733-1734 [PubMed:24555285]
[show Abstract]
Last Modified
02 October 2014