CHEBI:66820 - oleoyl neocryptotanshinone

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ChEBI Name oleoyl neocryptotanshinone
ChEBI ID CHEBI:66820
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 C37H54O5
Net Charge 0
Average Mass 578.82170
Monoisotopic Mass 578.39712
InChI InChI=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-
InChIKey ZDZOJQPZBICBMD-SEYXRHQNSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=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.
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 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 Number Type Source
8887958 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11374966 PubMed citation Europe PMC
Last Modified
06 June 2016