1,3-Dimethoxy-5-[2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]benzene

Details

• Internal ID: 05845a26-7e67-454b-983b-77ff80e68eb3
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 1,3-dimethoxy-5-[2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]benzene
• InChI: InChI=1S/C21H24O3/c1-16(2)11-12-24-19-9-7-17(8-10-19)5-6-18-13-20(22-3)15-21(14-18)23-4/h5-11,13-15H,12H2,1-4H3
• InChI Key: NVRMYKCCULLFNQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₄O₃
• Molecular Weight: 324.40 g/mol
• Exact Mass: 324.17254462 g/mol
• Topological Polar Surface Area (TPSA): 27.70 Ų
• XlogP: 5.60

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.61%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.66%	91.11%
CHEMBL4208	P20618	Proteasome component C5	92.29%	90.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	92.22%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.08%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.78%	96.09%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	89.82%	92.68%
CHEMBL3401	O75469	Pregnane X receptor	88.97%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.28%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.65%	95.56%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.36%	90.24%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.23%	94.45%
CHEMBL226	P30542	Adenosine A1 receptor	83.83%	95.93%
CHEMBL2243	O00519	Anandamide amidohydrolase	83.20%	97.53%

Plants that contains it

• Deguelia rufescens

Cross-Links

• PubChem: 76445940
• LOTUS: LTS0052612
• wikiData: Q105186381