N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide

Details

Top
Internal ID 92e51af2-ff46-4c43-b5ed-0851f0f63ede
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
SMILES (Canonical) COC1=CC(=C(C=C1)OC)C(=O)NCCC2=CC(=C(C=C2)OC)OC
SMILES (Isomeric) COC1=CC(=C(C=C1)OC)C(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI InChI=1S/C19H23NO5/c1-22-14-6-8-16(23-2)15(12-14)19(21)20-10-9-13-5-7-17(24-3)18(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChI Key ONOCRMIHFUYRLS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H23NO5
Molecular Weight 345.40 g/mol
Exact Mass 345.15762283 g/mol
Topological Polar Surface Area (TPSA) 66.00 Ų
XlogP 3.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.94% 96.09%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 94.54% 87.67%
CHEMBL4208 P20618 Proteasome component C5 93.72% 90.00%
CHEMBL2535 P11166 Glucose transporter 93.54% 98.75%
CHEMBL2581 P07339 Cathepsin D 93.43% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.26% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 92.08% 90.20%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 87.86% 81.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.68% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.31% 91.11%
CHEMBL3437 Q16853 Amine oxidase, copper containing 85.89% 94.00%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 85.71% 89.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.30% 95.50%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 83.31% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.58% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.00% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.62% 96.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 81.39% 95.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.38% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.94% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.60% 91.07%

Plants that contains it

Top
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.
Piper taiwanense

Cross-Links

Top
PubChem 8624076
LOTUS LTS0108460
wikiData Q105194988