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CHEBI:146256 - 10-hydroxycoronaridine

Default Structure
ChEBI IDCHEBI:146256
ChEBI Name10-hydroxycoronaridine
Stars
DefinitionAn organic heteropentacyclic compound that is coronaridine in which the hydrogen of the indole moiety that is para- to the indole nitrogen has been replaced by a hydroxy group.
Last Modified6 March 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H26N2O3
Net Charge0
Average Mass354.450
Monoisotopic Mass354.19434
SMILES[H][C@@]12C[C@H](CC)[C@]3([H])[N@@](CCc4c(nc5ccc(O)cc45)[C@]3(C(=O)OC)C1)C2
InChIInChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-23(11-12)19(13)21)16-9-14(24)4-5-17(16)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13+,19+,21-/m1/s1
InChIKeyTUZCJNZERFWZAS-YDBSYXHISA-N
Species of MetaboliteComponentSourceComments
Tabernaemontana echinata (IPNI:82105-1) - Article (Journal of Natural Products 1981, 44, 6, 713-716)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
phytoestrogen  Any compound produced by a plant that happens to have estrogenic activity.
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.
ChEBI Ontology
Outgoing Relation(s)
10-hydroxycoronaridine (CHEBI:146256) has functional parent (−)-coronaridine (CHEBI:3887)
10-hydroxycoronaridine (CHEBI:146256) has role phytoestrogen (CHEBI:76989)
10-hydroxycoronaridine (CHEBI:146256) has role plant metabolite (CHEBI:76924)
10-hydroxycoronaridine (CHEBI:146256) is a alkaloid ester (CHEBI:38481)
10-hydroxycoronaridine (CHEBI:146256) is a methyl ester (CHEBI:25248)
10-hydroxycoronaridine (CHEBI:146256) is a monoterpenoid indole alkaloid (CHEBI:65323)
10-hydroxycoronaridine (CHEBI:146256) is a organic heteropentacyclic compound (CHEBI:38164)
10-hydroxycoronaridine (CHEBI:146256) is a secondary amino compound (CHEBI:50995)
10-hydroxycoronaridine (CHEBI:146256) is a tertiary amino compound (CHEBI:50996)
10-hydroxycoronaridine (CHEBI:146256) is conjugate base of 10-hydroxycoronaridine(1+) (CHEBI:146238)
Incoming Relation(s)
10-hydroxycoronaridine(1+) (CHEBI:146238) is conjugate acid of 10-hydroxycoronaridine (CHEBI:146256)
IUPAC Name 
methyl 12-hydroxyibogamine-18-carboxylate
Manual XrefsDatabases
C00025704KNApSAcK
Registry NumbersSources
CAS:76129-67-4ChemIDplus
Citations