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CHEBI:132402 - angelitriol

ChEBI IDCHEBI:132402
ChEBI Nameangelitriol
Stars
DefinitionA member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation.
Last Modified20 July 2016
Submitterliuqingping
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESCOc1cc2oc(=O)ccc2cc1[C@@H](O)[C@H](O)C(C)(C)O
InChIInChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3/t13-,14+/m1/s1
InChIKeyPCSZTTAMZGNQNB-KGLIPLIRSA-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)
angelitriol (CHEBI:132402) has role plant metabolite (CHEBI:76924)
angelitriol (CHEBI:132402) has role platelet aggregation inhibitor (CHEBI:50427)
angelitriol (CHEBI:132402) is a aromatic ether (CHEBI:35618)
angelitriol (CHEBI:132402) is a coumarins (CHEBI:23403)
angelitriol (CHEBI:132402) is a triol (CHEBI:27136)
IUPAC Name 
7-methoxy-6-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one
Manual XrefsDatabases
10017318PubChem Compound
Citations