CHEBI:142059 - retuline

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ChEBI Name retuline
ChEBI ID CHEBI:142059
Definition A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C21H26N2O2
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.19943
InChI InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3-/t15-,16-,19-,20-,21+/m0/s1
InChIKey IJTKEUDLEABZCZ-SEACFGBCSA-N
SMILES OC[C@@H]1[C@@]2(N(C=3C([C@@]42[C@H]5N(CC4)C\C(\[C@@]1(C5)[H])=C\C)=CC=CC3)C(C)=O)[H]
Metabolite of Species Details
Strychnos henningsii (NCBI:txid1040887) Found in bark (BTO:0001301). See: PubMed
Strychnos holstii (NCBI:txid547236-1) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing retuline (CHEBI:142059) has role plant metabolite (CHEBI:76924)
retuline (CHEBI:142059) is a acetamides (CHEBI:22160)
retuline (CHEBI:142059) is a monoterpenoid indole alkaloid (CHEBI:65323)
retuline (CHEBI:142059) is a organic heteropentacyclic compound (CHEBI:38164)
retuline (CHEBI:142059) is a primary alcohol (CHEBI:15734)
retuline (CHEBI:142059) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
1-[(15β,16α,19E)-17-hydroxycur-19-en-1-yl]ethanone
Registry Numbers Types Sources
2616-16-2 CAS Registry Number ChemIDplus
52683 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1795530 PubMed citation Europe PMC
5843279 PubMed citation Europe PMC
5884091 PubMed citation Europe PMC
5917457 PubMed citation Europe PMC
Last Modified
11 September 2018