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CHEBI:141968 - caracurine VII

ChEBI IDCHEBI:141968
ChEBI Namecaracurine VII
Stars
DefinitionA monoterpenoid indole alkaloid with formula C19H22N2O2, isolated from several species of Strychnos.
Last Modified13 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC19H22N2O2
Net Charge0
Average Mass310.397
Monoisotopic Mass310.16813
SMILES[H][C@@]12Nc3ccccc3[C@@]13CCN1CC4=CCO[C@@H](O)[C@]2([H])[C@@]4([H])C[C@]13[H]
InChIInChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2/t12-,15-,16+,17-,18+,19+/m0/s1
InChIKeyUFUDXCDPABDFHK-SRCYXDNASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Strychnos dolichothyrsa (IPNI:547167-1) bark (BTO:0001301) PubMed (17402076)
Strychnos matopensis (ncbitaxon:1040897) root (BTO:0001188) Article (Massiot, G et al. Alkaloids from roots of Strychnos matopensis (1988). Phytochemistry, Vol 27(10), p 3293-3304.)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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)
caracurine VII (CHEBI:141968) has role plant metabolite (CHEBI:76924)
caracurine VII (CHEBI:141968) is a monoterpenoid indole alkaloid (CHEBI:65323)
caracurine VII (CHEBI:141968) is a organic heterohexacyclic compound (CHEBI:51914)
caracurine VII (CHEBI:141968) is a primary alcohol (CHEBI:15734)
caracurine VII (CHEBI:141968) is a tertiary amino compound (CHEBI:50996)
caracurine VII (CHEBI:141968) is conjugate base of 17,18-epoxy-17-hydroxycur-19-ene(1+) (CHEBI:231746)
Incoming Relation(s)
17,18-epoxy-17-hydroxycur-19-ene(1+) (CHEBI:231746) is conjugate acid of caracurine VII (CHEBI:141968)
IUPAC Name 
(17R)-19,20-didehydro-17,18-epoxycuran-17-ol
Synonyms  Source
Wieland-Gumlich aldehydeChemIDplus
caracurineChemIDplus
caracurine VIIChemIDplus
caracurin VIIChEBI
1-deacetyldiabolineChemIDplus
desacetyldiabolineChEBI
Manual XrefsDatabases
Wieland-Gumlich_aldehydeWikipedia
Registry NumbersSources
Reaxys:43170Reaxys
CAS:466-85-3ChemIDplus
Citations