6-bromo-5-hydroxy-1H-indole-3-carbaldehyde

Details

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Internal ID 2e9092a9-38c3-442e-8305-6c21f85b4126
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles
IUPAC Name 6-bromo-5-hydroxy-1H-indole-3-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H6BrNO2/c10-7-2-8-6(1-9(7)13)5(4-12)3-11-8/h1-4,11,13H
InChI Key JNNHOMADZPJFMA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C9H6BrNO2
Molecular Weight 240.05 g/mol
Exact Mass 238.95819 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-bromo-5-hydroxy-1H-indole-3-carbaldehyde

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
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 97.88% 98.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.42% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.97% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.63% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.17% 94.45%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 88.32% 83.10%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.96% 93.40%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.81% 92.94%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.25% 89.62%
CHEMBL3194 P02766 Transthyretin 84.26% 90.71%
CHEMBL1829 O15379 Histone deacetylase 3 83.01% 95.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 82.10% 92.88%
CHEMBL1937 Q92769 Histone deacetylase 2 81.56% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.35% 89.00%
CHEMBL2535 P11166 Glucose transporter 80.86% 98.75%
CHEMBL4208 P20618 Proteasome component C5 80.54% 90.00%

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 23427613
LOTUS LTS0223261
wikiData Q105132024