n-Feruloyl-3-methoxytyramine

Details

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Internal ID e3199fbb-9ec3-421d-ab89-5bbbfda431e0
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
SMILES (Canonical) COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O
SMILES (Isomeric) COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC)O
InChI InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)
InChI Key GRXBVKANHNUZNL-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C19H21NO5
Molecular Weight 343.40 g/mol
Exact Mass 343.14197277 g/mol
Topological Polar Surface Area (TPSA) 88.00 Ų
XlogP 2.10

Synonyms

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3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
N-trans-Feruloylmethoxytyramine; trans-Feruloylmethoxytyramine; trans-N-Feruloyl-3-O-methyldopamine
SCHEMBL1842826
AKOS032962215
B0005-151667

2D Structure

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2D Structure of n-Feruloyl-3-methoxytyramine

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.79% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.17% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.30% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.16% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.09% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.84% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 89.40% 90.20%
CHEMBL4208 P20618 Proteasome component C5 88.23% 90.00%
CHEMBL2535 P11166 Glucose transporter 88.10% 98.75%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 87.74% 89.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.64% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.28% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.88% 95.56%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 84.81% 96.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.52% 89.00%
CHEMBL3194 P02766 Transthyretin 83.20% 90.71%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.97% 90.71%

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.
Aerva lanata
Annona cherimola
Arcangelisia gusanlung
Beta vulgaris
Chenopodium album
Litsea hypophaea
Mitrephora tomentosa
Neolitsea konishii
Peperomia heyneana
Physalis sordida
Piper kwashoense
Piper nigrum
Synsepalum dulcificum

Cross-Links

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PubChem 134313
LOTUS LTS0159666
wikiData Q105016799