(Z)-1H,1'H-[2,3']biindolylidene-3,2'-dione-3-oxime (Q27461594)

CHEMBL216543 (English)

19 October 2016

chemical formula

C₁₆H₁₁N₃O₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

IXM

16 February 2021

canonical SMILES

C1=CC=C2C(=C1)C(=C3C(C4=CC=CC=C4N3)=NO)C(=N2)O

1 reference

indirubin-3'-monoxime (English)

19 October 2016

isomeric SMILES

C1=CC=C2C(=C1)/C(=C/3\C(\C4=CC=CC=C4N3)=N\O)/C(=N2)O

1 reference

indirubin-3'-monoxime (English)

InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+

19 October 2016

Identifiers

InChI

1 reference

indirubin-3'-monoxime (English)

HBDSHCUSXQATPO-BGBJRWHRSA-N

19 October 2016

InChIKey

2 references

indirubin-3'-monoxime (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3Z)-3-[(3E)-3-(Hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one (English)

19 October 2016

Reaxys registry number

7594308

1 reference

indirubin-3'-monoxime (English)

19 October 2016

ChEBI ID

43645

mapping relation type

2 references

indirubin-3'-monoxime (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+

1 reference

matched by identifier from

CHEMBL216543 (English)

19 October 2016

2 references

inferred from InChIKey

InChIKey

HBDSHCUSXQATPO-BGBJRWHRSA-N

DrugBank ID

DB02052

1 reference

matched by identifier from

InChIKey

HBDSHCUSXQATPO-BGBJRWHRSA-N

0 references

0 references

1 reference

1UNH (English)

19 October 2016

1 reference

1Q41 (English)

19 October 2016

1 reference

2QKR (English)