Tryptamine, 7-methoxy-N,N-dimethyl-

Details

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Internal ID 3048a825-e196-400d-a35f-9fdbb9437a65
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name 1-(7-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILES (Canonical) CN(C)CC1=CNC2=C1C=CC=C2OC
SMILES (Isomeric) CN(C)CC1=CNC2=C1C=CC=C2OC
InChI InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-10(9)5-4-6-11(12)15-3/h4-7,13H,8H2,1-3H3
InChI Key QBSJIUXVQLREJU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H16N2O
Molecular Weight 204.27 g/mol
Exact Mass 204.126263138 g/mol
Topological Polar Surface Area (TPSA) 28.30 Ų
XlogP 1.90

Synonyms

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SCHEMBL837672
QBSJIUXVQLREJU-UHFFFAOYSA-N
(7-Methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine #

2D Structure

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2D Structure of Tryptamine, 7-methoxy-N,N-dimethyl-

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 97.41% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.54% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.60% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.44% 98.95%
CHEMBL228 P31645 Serotonin transporter 91.18% 95.51%
CHEMBL5103 Q969S8 Histone deacetylase 10 90.82% 90.08%
CHEMBL1255126 O15151 Protein Mdm4 88.62% 90.20%
CHEMBL2535 P11166 Glucose transporter 88.49% 98.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.28% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.50% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.11% 86.33%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 85.99% 89.44%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.71% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.61% 96.00%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 85.55% 85.49%
CHEMBL1937 Q92769 Histone deacetylase 2 84.97% 94.75%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 84.64% 95.48%
CHEMBL1907 P15144 Aminopeptidase N 83.30% 93.31%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.90% 89.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.37% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.17% 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.
Phalaris aquatica

Cross-Links

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PubChem 594938
LOTUS LTS0159527
wikiData Q105217981