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

Details

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Internal ID 7f6c0a6b-447c-464f-b493-6f8706f0efe6
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles
IUPAC Name 6-hydroxy-1H-indole-3-carbaldehyde
SMILES (Canonical) C1=CC2=C(C=C1O)NC=C2C=O
SMILES (Isomeric) C1=CC2=C(C=C1O)NC=C2C=O
InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-3-7(12)1-2-8(6)9/h1-5,10,12H
InChI Key FAFBOYSDWMRMLQ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C9H7NO2
Molecular Weight 161.16 g/mol
Exact Mass 161.047678466 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 1.30

Synonyms

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192184-71-7
6-Hydroxyindole-3-carboxaldehyde
3-Formyl-6-hydroxyindole
1H-Indole-3-carboxaldehyde, 6-hydroxy-
6-Hydroxyindole-3-carbaldehyde
CHEMBL465344
SCHEMBL15324073
DTXSID20435577
CHEBI:179267
CS-B1236
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 6-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
CHEMBL1951 P21397 Monoamine oxidase A 97.09% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.02% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.96% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.02% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 92.80% 98.11%
CHEMBL242 Q92731 Estrogen receptor beta 89.42% 98.35%
CHEMBL3194 P02766 Transthyretin 88.59% 90.71%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 86.78% 93.24%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.78% 89.62%
CHEMBL4208 P20618 Proteasome component C5 85.59% 90.00%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 85.49% 83.10%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.38% 91.71%
CHEMBL2535 P11166 Glucose transporter 84.19% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.95% 89.00%
CHEMBL2581 P07339 Cathepsin D 82.71% 98.95%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.18% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.17% 93.40%

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 10103438
LOTUS LTS0114182
wikiData Q77625154