Indole-5,6-quinone

Details

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Internal ID a2477593-baa5-44c9-a847-63f4068bbed8
Taxonomy Organoheterocyclic compounds > Indoles and derivatives
IUPAC Name 1H-indole-5,6-dione
SMILES (Canonical) C1=CNC2=CC(=O)C(=O)C=C21
SMILES (Isomeric) C1=CNC2=CC(=O)C(=O)C=C21
InChI InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H
InChI Key IGGVVGHJSQSLFO-UHFFFAOYSA-N
Popularity 193 references in papers

Physical and Chemical Properties

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Molecular Formula C8H5NO2
Molecular Weight 147.13 g/mol
Exact Mass 147.032028402 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP -0.30

Synonyms

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1H-indole-5,6-dione
582-59-2
Indole-5,6-dione
SE4DX7HKA2
6-Hydroxy-5H-indol-5-one
indolequinone
indole-5,6 quinone
UNII-SE4DX7HKA2
C05579
59719-88-9
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Indole-5,6-quinone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 88.49% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.20% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.39% 91.11%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 84.52% 83.10%
CHEMBL255 P29275 Adenosine A2b receptor 83.94% 98.59%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.44% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 440728
LOTUS LTS0185030
wikiData Q6025729