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CHEBI:65730 - C-2'-decoumaroyl-aloeresin G

ChEBI IDCHEBI:65730
ChEBI NameC-2'-decoumaroyl-aloeresin G
Stars
ASCII NameC-2'-decoumaroyl-aloeresin G
DefinitionA member of the class of chromones that is chromone substituted by a methoxy group at position 7, a methyl group at position 5, a propenyl group at position 2 and a β-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Aloe vera.
Last Modified24 November 2014
DownloadsMolfile
FormulaC20H24O8
Net Charge0
Average Mass392.404
Monoisotopic Mass392.14712
SMILESC/C=C/c1cc(=O)c2c(C)cc(OC)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
InChIInChI=1S/C20H24O8/c1-4-5-10-7-11(22)14-9(2)6-12(26-3)15(19(14)27-10)20-18(25)17(24)16(23)13(8-21)28-20/h4-7,13,16-18,20-21,23-25H,8H2,1-3H3/b5-4+/t13-,16-,17+,18-,20+/m1/s1
InChIKeyMLEBNHHZBNKVMI-VBCQJRRHSA-N
Species of MetaboliteComponentSourceComments
Aloe vera (ncbitaxon:34199) whole plant (BTO:0001461) PubMed (18543151)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 3.4.23.46 (memapsin 2) inhibitor  An EC 3.4.23.* (aspartic endopeptidase) inhibitor that interferes with the activity of memapsin 2 (EC 3.4.23.46).
ChEBI Ontology
Outgoing Relation(s)
C-2'-decoumaroyl-aloeresin G (CHEBI:65730) has role EC 3.4.23.46 (memapsin 2) inhibitor (CHEBI:74925)
C-2'-decoumaroyl-aloeresin G (CHEBI:65730) has role plant metabolite (CHEBI:76924)
C-2'-decoumaroyl-aloeresin G (CHEBI:65730) is a C-glycosyl compound (CHEBI:20857)
C-2'-decoumaroyl-aloeresin G (CHEBI:65730) is a aromatic ether (CHEBI:35618)
C-2'-decoumaroyl-aloeresin G (CHEBI:65730) is a chromones (CHEBI:23238)
IUPAC Name 
(1S)-1,5-anhydro-1-{7-methoxy-5-methyl-4-oxo-2-[(1E)-prop-1-en-1-yl]-4H-chromen-8-yl}-D-glucitol
Synonym  Source
2-(E)-propenyl-7-methoxy-8-C-beta-D-glucopyranosyl-5-methyl-chromoneChEBI
Registry NumbersSources
Reaxys:15851970Reaxys
Citations