5-Ethenyl-4,6-dimethoxy-1-benzofuran

Details

• Internal ID: 9608cd11-93c3-480f-b2a6-dc9b9552ac51
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 5-ethenyl-4,6-dimethoxy-1-benzofuran
• SMILES (Canonical): COC1=C(C(=C2C=COC2=C1)OC)C=C
• SMILES (Isomeric): COC1=C(C(=C2C=COC2=C1)OC)C=C
• InChI: InChI=1S/C12H12O3/c1-4-8-10(13-2)7-11-9(5-6-15-11)12(8)14-3/h4-7H,1H2,2-3H3
• InChI Key: DJTVRBJOMCDZFQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.22 g/mol
• Exact Mass: 204.078644241 g/mol
• Topological Polar Surface Area (TPSA): 31.60 Ų
• XlogP: 3.00

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
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	93.65%	94.03%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.91%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.83%	96.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.86%	89.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.35%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.74%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.24%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.23%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.05%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	82.61%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.49%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.59%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.24%	96.09%

Plants that contains it

• Dorstenia barnimiana

Cross-Links

• PubChem: 14018773
• LOTUS: LTS0217582
• wikiData: Q104982824