EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135511 - rebeccamycin

ChEBI IDCHEBI:135511
ChEBI Namerebeccamycin
Stars
DefinitionAn N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.
Last Modified22 October 2012
DownloadsMolfile
FormulaC27H21Cl2N3O7
Net Charge0
Average Mass570.385
Monoisotopic Mass569.07566
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6nc5c32)C(=O)NC4=O)O[C@@H]1CO
InChIInChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1
InChIKeyQEHOIJJIZXRMAN-QZQSLCQPSA-N
ChEBI Ontology
Outgoing Relation(s)
rebeccamycin (CHEBI:135511) is a N-glycosyl compound (CHEBI:21731)
rebeccamycin (CHEBI:135511) is a indolocarbazole (CHEBI:51915)
rebeccamycin (CHEBI:135511) is a organic heterohexacyclic compound (CHEBI:51914)
rebeccamycin (CHEBI:135511) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
1,11-dichloro-12-(4-O-methyl-β-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
UniProt Name  Source
rebeccamycinUniProt
Registry NumbersSources
Beilstein:4732638Beilstein
CAS:93908-02-2ChemIDplus