2,4-dimethoxy-6-[(E)-2-phenylethenyl]benzoic acid

Details

• Internal ID: 8ad9c7b7-efde-4ad0-bd09-2f3ed793b7f7
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 2,4-dimethoxy-6-[(E)-2-phenylethenyl]benzoic acid
• InChI: InChI=1S/C17H16O4/c1-20-14-10-13(9-8-12-6-4-3-5-7-12)16(17(18)19)15(11-14)21-2/h3-11H,1-2H3,(H,18,19)/b9-8+
• InChI Key: HANXYNBDTBPYKD-CMDGGOBGSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.31 g/mol
• Exact Mass: 284.10485899 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.70

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	97.84%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.70%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.25%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.65%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.17%	96.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.12%	95.50%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	87.06%	94.08%
CHEMBL3194	P02766	Transthyretin	87.02%	90.71%
CHEMBL4208	P20618	Proteasome component C5	86.58%	90.00%
CHEMBL2535	P11166	Glucose transporter	85.74%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	83.34%	90.20%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.38%	93.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.69%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.53%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	81.45%	94.73%

Plants that contains it

• Persicaria maculosa

Cross-Links

• PubChem: 101159673
• LOTUS: LTS0085012
• wikiData: Q105024951