(4-methoxy-1H-indol-3-yl)methanamine

Details

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Internal ID 64e1d79b-0d60-4e26-a399-cabee48d5013
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name (4-methoxy-1H-indol-3-yl)methanamine
SMILES (Canonical) COC1=CC=CC2=C1C(=CN2)CN
SMILES (Isomeric) COC1=CC=CC2=C1C(=CN2)CN
InChI InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3
InChI Key YKDYCKHEKOEVJM-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12N2O
Molecular Weight 176.21 g/mol
Exact Mass 176.094963011 g/mol
Topological Polar Surface Area (TPSA) 51.00 Ų
XlogP 0.90

Synonyms

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153310-48-6
4-methoxy-1h-indol-3-methylamine
1-(4-methoxy-1H-indol-3-yl)methanamine
4-methoxy-3-indolylmethylamine
4-MeO-I3CH2NH2
4-Methoxyindole-3-methanamine
4-methoxyindole-3-methylamine
4-methoxyindol-3-ylmethylamine
SCHEMBL5444971
4-methoxy-3-(aminomethyl)indole
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (4-methoxy-1H-indol-3-yl)methanamine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.39% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 93.72% 89.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.84% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.45% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 90.13% 90.24%
CHEMBL1255126 O15151 Protein Mdm4 88.84% 90.20%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.69% 93.99%
CHEMBL2581 P07339 Cathepsin D 88.61% 98.95%
CHEMBL2535 P11166 Glucose transporter 87.94% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.72% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.65% 86.33%
CHEMBL213 P08588 Beta-1 adrenergic receptor 86.76% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.68% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.35% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.01% 97.09%
CHEMBL1907 P15144 Aminopeptidase N 82.58% 93.31%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 82.21% 95.48%
CHEMBL4581 P52732 Kinesin-like protein 1 81.52% 93.18%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.51% 95.89%

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.
Arabidopsis thaliana

Cross-Links

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PubChem 10931962
LOTUS LTS0142991
wikiData Q27163096