(r)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide

Details

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Internal ID f4636b18-65fa-4e60-98b4-73de2b715f9b
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)-N-[(2R)-2-(4-hydroxyphenyl)-2-methoxyethyl]prop-2-enamide
SMILES (Canonical) COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)OC)O
SMILES (Isomeric) COC1=C(C=CC(=C1)C=CC(=O)NC[C@@H](C2=CC=C(C=C2)O)OC)O
InChI InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/t18-/m0/s1
InChI Key RPYOBVFUJCZQDA-SFHVURJKSA-N
Popularity 1 reference 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 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (r)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide

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 98.99% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.35% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 95.46% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.63% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.21% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.80% 98.95%
CHEMBL4208 P20618 Proteasome component C5 91.55% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.14% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.76% 94.45%
CHEMBL3194 P02766 Transthyretin 88.78% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.33% 89.62%
CHEMBL1255126 O15151 Protein Mdm4 87.06% 90.20%
CHEMBL2535 P11166 Glucose transporter 85.68% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.19% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 82.04% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.55% 90.71%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 80.99% 89.67%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.73% 95.50%

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.
Solanum nigrum

Cross-Links

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PubChem 138454555
LOTUS LTS0201556
wikiData Q105243146