N-(E)-Feruoyl-L-tyrosine amide

Details

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Internal ID 6c5b6be5-4ff3-48ca-8fc0-080925841cb2
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives
IUPAC Name (2S)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H19NO6/c1-26-17-11-13(4-8-16(17)22)5-9-18(23)20-15(19(24)25)10-12-2-6-14(21)7-3-12/h2-9,11,15,21-22H,10H2,1H3,(H,20,23)(H,24,25)/b9-5+/t15-/m0/s1
InChI Key RWAXPZCUFIKMTQ-BOSPYUDASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H19NO6
Molecular Weight 357.40 g/mol
Exact Mass 357.12123733 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 2.50

Synonyms

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N-(E)-Feruoyl-L-tyrosine amide
UNII-79HLX9P5O6
79HLX9P5O6
L-Tyrosine, N-((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)
L-Tyrosine, N-((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)-
731773-64-1
CHEMBL4247915
N-feruloyltyrosine
SCHEMBL3719241
SCHEMBL3792134
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-(E)-Feruoyl-L-tyrosine amide

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
CHEMBL1255126 O15151 Protein Mdm4 98.80% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.57% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.17% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.43% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.81% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 94.54% 95.50%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.60% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.98% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.00% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.90% 94.45%
CHEMBL3194 P02766 Transthyretin 87.21% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.76% 99.15%
CHEMBL2535 P11166 Glucose transporter 85.87% 98.75%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 84.70% 92.29%
CHEMBL1921 P47901 Vasopressin V1b receptor 83.52% 92.50%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.49% 100.00%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 83.05% 92.86%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.99% 89.50%
CHEMBL340 P08684 Cytochrome P450 3A4 82.22% 91.19%
CHEMBL4208 P20618 Proteasome component C5 80.94% 90.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.03% 97.21%

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.
Allium atroviolaceum

Cross-Links

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PubChem 46865641
LOTUS LTS0133398
wikiData Q27266760