CHEBI:132402 - angelitriol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name angelitriol
ChEBI ID CHEBI:132402
Definition A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer).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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C15H18O6
Net Charge 0
Average Mass 294.300
Monoisotopic Mass 294.11034
InChI InChI=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
InChIKey PCSZTTAMZGNQNB-KGLIPLIRSA-N
SMILES C=1C(OC2=C(C1)C=C([C@@H](O)[C@H](O)C(O)(C)C)C(=C2)OC)=O
Metabolite of Species Details
Angelica pubescens (NCBI:txid312530) Found in root (BTO:0001188). EtOAc-soluble fraction 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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
10017318 PubChem
View more database links
Citation Waiting for Citations Type Source
17238102 PubMed citation Europe PMC
Last Modified
20 July 2016