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CHEBI:595389 - 4'-demethylrebeccamycin

ChEBI IDCHEBI:595389
ChEBI Name4'-demethylrebeccamycin
Stars
DefinitionAn N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.
Secondary ChEBI IDCHEBI:611801
Last Modified25 October 2017
DownloadsMolfile
FormulaC26H19Cl2N3O7
Net Charge0
Average Mass556.358
Monoisotopic Mass555.06001
SMILESO=C1NC(=O)c2c1c1c3cccc(Cl)c3nc1c1c2c2cccc(Cl)c2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H19Cl2N3O7/c27-10-5-1-3-8-13-15-16(25(37)30-24(15)36)14-9-4-2-6-11(28)19(9)31(20(14)18(13)29-17(8)10)26-23(35)22(34)21(33)12(7-32)38-26/h1-6,12,21-23,26,29,32-35H,7H2,(H,30,36,37)/t12-,21-,22+,23-,26-/m1/s1
InChIKeyNNPBOGAWNUIKAO-RJZBGXQMSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-demethylrebeccamycin (CHEBI:595389) is a N-glycosyl compound (CHEBI:21731)
4'-demethylrebeccamycin (CHEBI:595389) is a indolocarbazole (CHEBI:51915)
4'-demethylrebeccamycin (CHEBI:595389) is a organic heterohexacyclic compound (CHEBI:51914)
4'-demethylrebeccamycin (CHEBI:595389) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
1,11-dichloro-12-(β-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
Synonym  Source
4'-O-DemethylrebeccamycinKEGG COMPOUND
UniProt Name  Source
4'-demethylrebeccamycinUniProt
Manual XrefsDatabases
C19700KEGG COMPOUND
Registry NumbersSources
Beilstein:9461416Beilstein