N-Acetylindoxyl

Details

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Internal ID 9e63223e-593c-4d89-8cde-c25fe40b0604
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles
IUPAC Name 1-(3-hydroxyindol-1-yl)ethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3
InChI Key NNJXIAOPPYUVAX-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H9NO2
Molecular Weight 175.18 g/mol
Exact Mass 175.063328530 g/mol
Topological Polar Surface Area (TPSA) 42.20 Ų
XlogP 1.50

Synonyms

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33025-60-4
N-Acetylindoxyl
1-(3-Hydroxy-1H-indol-1-yl)ethanone
1-ACETYL-3-HYDROXYINDOLE
1-(3-hydroxyindol-1-yl)ethanone
Acetylindoxyl
1H-Indol-3-ol, 1-acetyl-
1-acetyl-1H-indol-3-ol
1-(3-hydroxy-1H-indol-1-yl)ethan-1-one
C02298
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Acetylindoxyl

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 95.31% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.84% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.97% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.42% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.74% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.87% 99.23%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 83.87% 100.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.10% 93.65%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.48% 94.62%
CHEMBL1951 P21397 Monoamine oxidase A 81.39% 91.49%

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 439701
LOTUS LTS0075908
wikiData Q27089400