CHEBI:595389 - 4'-demethylrebeccamycin

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ChEBI Name 4'-demethylrebeccamycin
ChEBI ID CHEBI:595389
Definition An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:611801
Supplier Information
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Formula C26H19Cl2N3O7
Net Charge 0
Average Mass 556.35100
Monoisotopic Mass 555.06001
InChI InChI=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
InChIKey NNPBOGAWNUIKAO-RJZBGXQMSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12
ChEBI Ontology
Outgoing 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
Synonyms Sources
4'-demethylrebeccamycin UniProt
4'-O-Demethylrebeccamycin KEGG COMPOUND
Manual Xref Database
C19700 KEGG COMPOUND
View more database links
Registry Number Type Source
9461416 Beilstein Registry Number Beilstein
Last Modified
25 October 2017