2-Amino-6-hydroxy-[1,4]-benzoquinone

Details

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Internal ID f845be8a-3194-4c8f-b2ac-1b82ed78a039
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones
IUPAC Name 2-amino-6-hydroxycyclohexa-2,5-diene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H5NO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,9H,7H2
InChI Key DMLGZFNQEJYMOM-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C6H5NO3
Molecular Weight 139.11 g/mol
Exact Mass 139.026943022 g/mol
Topological Polar Surface Area (TPSA) 80.40 Ų
XlogP -0.60

Synonyms

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2-amino-6-hydroxy-benzoquinone
SCHEMBL3018310
DMLGZFNQEJYMOM-UHFFFAOYSA-N
AKOS006311013

2D Structure

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2D Structure of 2-Amino-6-hydroxy-[1,4]-benzoquinone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.42% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.22% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.11% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 21962127
LOTUS LTS0201038
wikiData Q104985143