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CHEBI:140439 - 3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole

ChEBI IDCHEBI:140439
ChEBI Name3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole
Stars
ASCII Name3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole
DefinitionA member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups.
Last Modified20 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24N2
Net Charge0
Average Mass304.437
Monoisotopic Mass304.19395
SMILES[C-]#[N+]/C=C\C1(C/C=C(\C)CCC=C(C)C)C=Nc2ccccc21
InChIInChI=1S/C21H24N2/c1-17(2)8-7-9-18(3)12-13-21(14-15-22-4)16-23-20-11-6-5-10-19(20)21/h5-6,8,10-12,14-16H,7,9,13H2,1-3H3/b15-14-,18-12+
InChIKeyRDFHTLPPJOQCJA-DATWYKNKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) has functional parent 3H-indole (CHEBI:35579)
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) is a indoles (CHEBI:24828)
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) is a isocyanide (CHEBI:35353)
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole (CHEBI:140439) is a olefinic compound (CHEBI:78840)
IUPAC Name 
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-[(Z)-2-isocyanoethenyl]-3H-indole
Synonyms  Source
3-geranyl-3-[(Z)-2-isocyanoethenyl]-3H-indoleChEBI
3-geranyl 3-isocyanovinylindoleChEBI
UniProt Name  Source
3-geranyl-3-[(Z)-2-isocyanoethenyl]-1H-indoleUniProt
Manual XrefsDatabases
CPD-20795MetaCyc
Registry NumbersSources
Reaxys:28957193Reaxys
Citations