CHEBI:66819 - oleoyl danshenxinkun A

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ChEBI Name oleoyl danshenxinkun A
ChEBI ID CHEBI:66819
Definition A diterpenoid with a fatty acyl side chain isolated from Salvia miltiorrhiza and has been shown to inhibit platelet aggregation induced by arachidonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H48O5
Net Charge 0
Average Mass 560.76330
Monoisotopic Mass 560.35017
InChI InChI=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-
InChIKey CKCNLHQWTDJDRS-QXMHVHEDSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C1=C(O)C(=O)c2c(ccc3c(C)cccc23)C1=O
Metabolite of Species Details
Salvia miltiorrhiza (NCBI:txid226208) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
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 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 Number Type Source
8886925 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11374966 PubMed citation Europe PMC
Last Modified
06 June 2016