5,7-Dimethoxy-2-prop-1-en-2-yl-1-benzofuran

Details

• Internal ID: 80f2fd5d-d427-4aa9-ab02-cfa37a266137
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 5,7-dimethoxy-2-prop-1-en-2-yl-1-benzofuran
• SMILES (Canonical): CC(=C)C1=CC2=CC(=CC(=C2O1)OC)OC
• SMILES (Isomeric): CC(=C)C1=CC2=CC(=CC(=C2O1)OC)OC
• InChI: InChI=1S/C13H14O3/c1-8(2)11-6-9-5-10(14-3)7-12(15-4)13(9)16-11/h5-7H,1H2,2-4H3
• InChI Key: PXDFJYIPGZJZIZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25 g/mol
• Exact Mass: 218.094294304 g/mol
• Topological Polar Surface Area (TPSA): 31.60 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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.71%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.76%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.38%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.03%	85.14%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.46%	95.50%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.08%	92.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.12%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.64%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.39%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.60%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	81.41%	94.73%

Plants that contains it

• Calea szyszylowiczii

Cross-Links

• PubChem: 101417076
• LOTUS: LTS0097823
• wikiData: Q105216112