ISOINDIGOTIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10N2O2
Molecular Weight	262.2628
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NC2=C(C=CC=C2)\C1=C3/C(=O)NC4=C3C=CC=C4

InChI

InChIKey=MLCPSWPIYHDOKG-BUHFOSPRSA-N

InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+

HIDE SMILES / InChI

Molecular Formula	C16H10N2O2
Molecular Weight	262.2628
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Protein-glutamine gamma-glutamyltransferase 6 Target ID: CHEMBL2730 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21215619	Inhibitor 8297		8.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:36:49 GMT 2023` Edited by `admin` on `Sat Dec 16 08:36:49 GMT 2023`
Record UNII	6UE33XXJ1Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOINDIGOTIN

Common Name

English

INDIN

Systematic Name

English

.DELTA.3,3'-BIOXINDOLE

Systematic Name

English

3-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE

Systematic Name

English

(.DELTA.3,3'-BIINDOLINE)-2,2'-DIONE

Systematic Name

English

ISOINDIGO

Systematic Name

English

2H-INDOL-2-ONE, 3-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-1,3-DIHYDRO-

Systematic Name

English

Code System Code Type Description

CAS

180479-95-2

Created by admin on Sat Dec 16 08:36:49 GMT 2023 , Edited by admin on Sat Dec 16 08:36:49 GMT 2023

ALTERNATIVE

CAS

476-34-6

Created by admin on Sat Dec 16 08:36:49 GMT 2023 , Edited by admin on Sat Dec 16 08:36:49 GMT 2023

PRIMARY

FDA UNII

6UE33XXJ1Y

Created by admin on Sat Dec 16 08:36:49 GMT 2023 , Edited by admin on Sat Dec 16 08:36:49 GMT 2023

PRIMARY

PUBCHEM

5318575

Created by admin on Sat Dec 16 08:36:49 GMT 2023 , Edited by admin on Sat Dec 16 08:36:49 GMT 2023

PRIMARY