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CHEBI:132768 - angelol-J

ChEBI IDCHEBI:132768
ChEBI Nameangelol-J
Stars
DefinitionA member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1-ethoxy-2,3-dihydroxy-3-methylbutyl group (the R,R stereoisomer). Originally isolated from the roots of Angelica pubescens, angelol J shows strong inhibitory effects on human platelet aggregation.
Last Modified20 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCCO[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O
InChIInChI=1S/C17H22O6/c1-5-22-15(16(19)17(2,3)20)11-8-10-6-7-14(18)23-12(10)9-13(11)21-4/h6-9,15-16,19-20H,5H2,1-4H3/t15-,16-/m1/s1
InChIKeySPEUNNBYNAGBGC-HZPDHXFCSA-N
Species of MetaboliteComponentSourceComments
Angelica pubescens (ncbitaxon:312530) root (BTO:0001188) PubMed (17238120) EtOAc-soluble fraction
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
angelol-J (CHEBI:132768) has role plant metabolite (CHEBI:76924)
angelol-J (CHEBI:132768) has role platelet aggregation inhibitor (CHEBI:50427)
angelol-J (CHEBI:132768) is a aromatic ether (CHEBI:35618)
angelol-J (CHEBI:132768) is a coumarins (CHEBI:23403)
angelol-J (CHEBI:132768) is a diol (CHEBI:23824)
IUPAC Name 
6-[(1R,2R)-1-ethoxy-2,3-dihydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-one
Synonym  Source
angelol JChEBI
Registry NumbersSources
Reaxys:7387555Reaxys
Citations