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CHEBI:66819 - oleoyl danshenxinkun A

ChEBI IDCHEBI:66819
ChEBI Nameoleoyl danshenxinkun A
Stars
DefinitionA diterpenoid with a fatty acyl side chain isolated from Salvia miltiorrhiza and has been shown to inhibit platelet aggregation induced by arachidonic acid.
Last Modified6 June 2016
DownloadsMolfile
FormulaC36H48O5
Net Charge0
Average Mass560.775
Monoisotopic Mass560.35017
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O
InChIInChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h11-12,19-21,23-24,27,39H,4-10,13-18,22,25H2,1-3H3/b12-11-
InChIKeyCKCNLHQWTDJDRS-QXMHVHEDSA-N
Species of MetaboliteComponentSourceComments
Salvia miltiorrhiza (ncbitaxon:226208) root (BTO:0001188) PubMed (11374966)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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)
oleoyl danshenxinkun A (CHEBI:66819) has functional parent oleic acid (CHEBI:16196)
oleoyl danshenxinkun A (CHEBI:66819) has role metabolite (CHEBI:25212)
oleoyl danshenxinkun A (CHEBI:66819) has role platelet aggregation inhibitor (CHEBI:50427)
oleoyl danshenxinkun A (CHEBI:66819) is a p-quinones (CHEBI:25830)
oleoyl danshenxinkun A (CHEBI:66819) is a diterpenoid (CHEBI:23849)
oleoyl danshenxinkun A (CHEBI:66819) is a fatty acid ester (CHEBI:35748)
oleoyl danshenxinkun A (CHEBI:66819) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
2-(3-hydroxy-8-methyl-1,4-dioxo-1,4-dihydrophenanthren-2-yl)propyl (9Z)-octadec-9-enoate
Registry NumbersSources
Reaxys:8886925Reaxys
Citations