5-Ethenyl-6-methoxy-1-benzofuran

Details

• Internal ID: 751fc963-7364-4139-b673-24f7f9d6d78f
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: 5-ethenyl-6-methoxy-1-benzofuran
• SMILES (Canonical): COC1=C(C=C2C=COC2=C1)C=C
• SMILES (Isomeric): COC1=C(C=C2C=COC2=C1)C=C
• InChI: InChI=1S/C11H10O2/c1-3-8-6-9-4-5-13-11(9)7-10(8)12-2/h3-7H,1H2,2H3
• InChI Key: NOUMOQUWJXHYBN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₂
• Molecular Weight: 174.20 g/mol
• Exact Mass: 174.068079557 g/mol
• Topological Polar Surface Area (TPSA): 22.40 Ų
• XlogP: 3.10

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	93.65%	91.11%
CHEMBL240	Q12809	HERG	91.40%	89.76%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.38%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.17%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.08%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	85.06%	89.62%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	84.00%	94.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.51%	96.09%
CHEMBL2581	P07339	Cathepsin D	83.32%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.30%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.37%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.18%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	81.42%	90.20%

Plants that contains it

• Dorstenia barnimiana

Cross-Links

• PubChem: 14018772
• LOTUS: LTS0211585
• wikiData: Q105182815