6,8-Dimethoxy-4,5-dimethylbenzo[f][1]benzofuran

Details

• Internal ID: 5b146d62-e4b0-4c9c-8bd5-7d782e4de0a6
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 6,8-dimethoxy-4,5-dimethylbenzo[f][1]benzofuran
• SMILES (Canonical): CC1=C2C(=C(C=C(C2=CC3=C1C=CO3)OC)OC)C
• SMILES (Isomeric): CC1=C2C(=C(C=C(C2=CC3=C1C=CO3)OC)OC)C
• InChI: InChI=1S/C16H16O3/c1-9-11-5-6-19-15(11)7-12-14(18-4)8-13(17-3)10(2)16(9)12/h5-8H,1-4H3
• InChI Key: GZPXKFWLIFYBST-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.30 g/mol
• Exact Mass: 256.109944368 g/mol
• Topological Polar Surface Area (TPSA): 31.60 Ų
• XlogP: 4.20

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	94.33%	91.11%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	94.23%	89.62%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	93.86%	94.03%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	89.98%	93.65%
CHEMBL240	Q12809	HERG	88.86%	89.76%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.41%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.88%	94.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.29%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.23%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.65%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.75%	89.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.04%	92.94%
CHEMBL2535	P11166	Glucose transporter	80.10%	98.75%

Plants that contains it

• Ligularia veitchiana

Cross-Links

• PubChem: 101506860
• LOTUS: LTS0112259
• wikiData: Q105024507