(2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran

Details

• Internal ID: 70d1bc61-2580-43e0-8091-bc1a395cdf15
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: (2R,3R)-2-(4-methoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
• InChI: InChI=1S/C19H20O2/c1-4-5-14-6-11-18-17(12-14)13(2)19(21-18)15-7-9-16(20-3)10-8-15/h4-13,19H,1-3H3/b5-4+/t13-,19-/m1/s1
• InChI Key: VIIMZQYLSFKCBR-YPYBPIMSSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₂
• Molecular Weight: 280.40 g/mol
• Exact Mass: 280.146329876 g/mol
• Topological Polar Surface Area (TPSA): 18.50 Ų
• XlogP: 4.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.12%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.51%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.06%	86.33%
CHEMBL240	Q12809	HERG	93.05%	89.76%
CHEMBL1951	P21397	Monoamine oxidase A	92.92%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.86%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.10%	96.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.34%	97.09%
CHEMBL1907	P15144	Aminopeptidase N	86.90%	93.31%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.31%	94.80%
CHEMBL4208	P20618	Proteasome component C5	82.41%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	81.91%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.90%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.13%	85.14%

Plants that contains it

• Krameria bicolor

Cross-Links

• PubChem: 10564716
• LOTUS: LTS0068233
• wikiData: Q105286847