4-(2-Aminoethyl)-2,6-dimethoxyphenol

Details

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Internal ID d8cfe069-d0e4-4a63-ae95-d9a6edc4edd7
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-(2-aminoethyl)-2,6-dimethoxyphenol
SMILES (Canonical) COC1=CC(=CC(=C1O)OC)CCN
SMILES (Isomeric) COC1=CC(=CC(=C1O)OC)CCN
InChI InChI=1S/C10H15NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3-4,11H2,1-2H3
InChI Key ISVPPMXWQFCRSS-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C10H15NO3
Molecular Weight 197.23 g/mol
Exact Mass 197.10519334 g/mol
Topological Polar Surface Area (TPSA) 64.70 Ų
XlogP 1.00

Synonyms

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2413-00-5
Phenol, 4-(2-aminoethyl)-2,6-dimethoxy-
3,5-Dimethoxy-4-hydroxyphenethylamine
SCHEMBL1467120
CHEMBL4532448
DTXSID70336469
AKOS006280299
4-(2-Amino-ethyl)-2,6-dimethoxy-phenol
4-(2-Aminoethyl)-2,6-dimethoxyphenol #
EN300-304143
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-(2-Aminoethyl)-2,6-dimethoxyphenol

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 98.07% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.70% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.97% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.92% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.27% 90.24%
CHEMBL4581 P52732 Kinesin-like protein 1 86.22% 93.18%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.14% 92.94%
CHEMBL1255126 O15151 Protein Mdm4 85.54% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.24% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.13% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.97% 94.45%
CHEMBL2581 P07339 Cathepsin D 83.11% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.45% 92.62%

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.
Austrocylindropuntia cylindrica
Cylindropuntia imbricata
Senegalia berlandieri
Vachellia rigidula

Cross-Links

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PubChem 533955
LOTUS LTS0252093
wikiData Q82103604