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CHEBI:66820 - oleoyl neocryptotanshinone

ChEBI IDCHEBI:66820
ChEBI Nameoleoyl neocryptotanshinone
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
FormulaC37H54O5
Net Charge0
Average Mass578.834
Monoisotopic Mass578.39712
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O
InChIInChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12-
InChIKeyZDZOJQPZBICBMD-SEYXRHQNSA-N
Species of MetaboliteComponentSourceComments
Salvia miltiorrhiza (ncbitaxon:226208) root (BTO:0001188) PubMed (11374966)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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 neocryptotanshinone (CHEBI:66820) has functional parent oleic acid (CHEBI:16196)
oleoyl neocryptotanshinone (CHEBI:66820) has role metabolite (CHEBI:25212)
oleoyl neocryptotanshinone (CHEBI:66820) has role platelet aggregation inhibitor (CHEBI:50427)
oleoyl neocryptotanshinone (CHEBI:66820) is a p-quinones (CHEBI:25830)
oleoyl neocryptotanshinone (CHEBI:66820) is a carbotricyclic compound (CHEBI:38032)
oleoyl neocryptotanshinone (CHEBI:66820) is a diterpenoid (CHEBI:23849)
oleoyl neocryptotanshinone (CHEBI:66820) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-(3-hydroxy-8,8-dimethyl-1,4-dioxo-1,4,5,6,7,8-hexahydrophenanthren-2-yl)propyl (9Z)-octadec-9-enoate
Registry NumbersSources
Reaxys:8887958Reaxys
Citations