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CHEBI:142941 - (16R)-deshydroxymethyl-stemmadenine

ChEBI IDCHEBI:142941
ChEBI Name(16R)-deshydroxymethyl-stemmadenine
Stars
ASCII Name(16R)-deshydroxymethyl-stemmadenine
DefinitionAn organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7R is substituted by a methoxycarbonyl group.
Last Modified17 January 2019
SubmitterAdnan
DownloadsMolfile
FormulaC20H24N2O2
Net Charge0
Average Mass324.424
Monoisotopic Mass324.18378
SMILES[H][C@@]12CCN(CCc3c(nc4ccccc34)[C@@H]1C(=O)OC)C/C2=C/C
InChIInChI=1S/C20H24N2O2/c1-3-13-12-22-10-8-14(13)18(20(23)24-2)19-16(9-11-22)15-6-4-5-7-17(15)21-19/h3-7,14,18,21H,8-12H2,1-2H3/b13-3-/t14-,18+/m0/s1
InChIKeyFWGFCRSCPPSXQL-YPSJNGCXSA-N
Roles Classification
Biological Role:
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)
(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a bridged compound (CHEBI:35990)
(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a methyl ester (CHEBI:25248)
(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a monoterpenoid indole alkaloid (CHEBI:65323)
(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is a organic heterotetracyclic compound (CHEBI:38163)
(16R)-deshydroxymethyl-stemmadenine (CHEBI:142941) is conjugate base of (16R)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142670)
Incoming Relation(s)
(16R)-deshydroxymethyl-stemmadenine(1+) (CHEBI:142670) is conjugate acid of (16R)-deshydroxymethyl-stemmadenine (CHEBI:142941)
IUPAC Name 
methyl (5E,6R,7R)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
Synonyms  Source
(16R)-deshydroxymethyl-stemmadenineChEBI
(16R)-deshydroxymethylstemmadenineChEBI
Citations