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CHEBI:139124 - (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine

ChEBI IDCHEBI:139124
ChEBI Name(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine
Stars
ASCII Name(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine
Last Modified21 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILESCC[C@]12C=CCN3CC[C@]4(C(=Nc5ccccc54)[C@@](O)(C(=O)OC)C1)[C@@H]32
InChIInChI=1S/C21H24N2O3/c1-3-19-9-6-11-23-12-10-20(17(19)23)14-7-4-5-8-15(14)22-16(20)21(25,13-19)18(24)26-2/h4-9,17,25H,3,10-13H2,1-2H3/t17-,19-,20-,21+/m0/s1
InChIKeyDZPMBJHSZPWWDS-ZIBCJSCZSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) has functional parent tabersonine (CHEBI:16776)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) has role plant metabolite (CHEBI:76924)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a alkaloid ester (CHEBI:38481)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a methyl ester (CHEBI:25248)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a monoterpenoid indole alkaloid (CHEBI:65323)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a organic heteropentacyclic compound (CHEBI:38164)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a tertiary alcohol (CHEBI:26878)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is a tertiary amino compound (CHEBI:50996)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124) is conjugate base of (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium (CHEBI:138462)
Incoming Relation(s)
(3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersoninium (CHEBI:138462) is conjugate acid of (3R)-1,2-didehydro-3-hydroxy-2,3-dihydrotabersonine (CHEBI:139124)
IUPAC Name 
methyl (3β,5α,12β,19α)-3-hydroxy-1,2,6,7-tetradehydroaspidospermidine-3-carboxylate
Manual XrefsDatabases
CPD-19891MetaCyc
Registry NumbersSources
Reaxys:5633814Reaxys
Citations