CHEBI:3887 - (−)-coronaridine

ChEBI IDCHEBI:3887
ChEBI Name(−)-coronaridine
Stars
ASCII Name(-)-coronaridine
DefinitionA monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana.
Last Modified6 March 2020
DownloadsMolfile
FormulaC21H26N2O2
Net Charge0
Average Mass338.451
Monoisotopic Mass338.19943
SMILES[H][C@@]12C[C@H](CC)[C@]3([H])[N@@](CCc4c(nc5ccccc45)[C@]3(C(=O)OC)C1)C2
InChIInChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14+,19+,21-/m1/s1
InChIKeyNVVDQMVGALBDGE-PZXGUROGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Ervatamia pandacaqui (IPNI:78961-1) leaf (BTO:0000713) PubMed (29728039)
Peschiera australis (IPNI:1083767-2) stem (BTO:0001300) PubMed (11302794)
Tabernaemontana catharinensis (ncbitaxon:403124) root (BTO:0001188) PubMed (23569415) Isolated from root bark.
Tabernaemontana divaricata (ncbitaxon:52861)
aerial part (BTO:0001658) PubMed (26231157)
cell suspension culture (BTO:0000221) PubMed (17265301)
Tabernaemontana heyneana (IPNI:82149-1) root (BTO:0001188) PubMed (4714135)
Tabernaemontana litoralis (ncbitaxon:403118) fruit (BTO:0000486) PubMed (28006917)
Tabernaemontana pandacaqui (ncbitaxon:761085) - PubMed (14122038)
Tabernaemontana penduliflora (ncbitaxon:761088) seed (BTO:0001226) PubMed (17342619)
Tabernaemontana ternifolia (IPNI:60439757-2) root (BTO:0001188) PubMed (30773907)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(−)-coronaridine (CHEBI:3887) has role antileishmanial agent (CHEBI:70868)
(−)-coronaridine (CHEBI:3887) has role antineoplastic agent (CHEBI:35610)
(−)-coronaridine (CHEBI:3887) has role apoptosis inducer (CHEBI:68495)
(−)-coronaridine (CHEBI:3887) has role plant metabolite (CHEBI:76924)
(−)-coronaridine (CHEBI:3887) is a alkaloid ester (CHEBI:38481)
(−)-coronaridine (CHEBI:3887) is a methyl ester (CHEBI:25248)
(−)-coronaridine (CHEBI:3887) is a monoterpenoid indole alkaloid (CHEBI:65323)
(−)-coronaridine (CHEBI:3887) is a organic heteropentacyclic compound (CHEBI:38164)
(−)-coronaridine (CHEBI:3887) is conjugate base of (−)-coronaridine(1+) (CHEBI:146232)
Incoming Relation(s)
10-hydroxycoronaridine (CHEBI:146256) has functional parent (−)-coronaridine (CHEBI:3887)
(−)-coronaridine(1+) (CHEBI:146232) is conjugate acid of (−)-coronaridine (CHEBI:3887)
IUPAC Name 
methyl ibogamine-18-carboxylate
Synonyms  Source
(−)-coronaridineKEGG COMPOUND
coronaridineKEGG COMPOUND
Manual XrefsDatabases
C00001709KNApSAcK
C09139KEGG COMPOUND
CoronaridineWikipedia
Registry NumbersSources
CAS:467-77-6ChemIDplus
Citations